SCHEMBL3640716

SCHEMBL3640716

CCCCCc1nccc(N2CCNCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
HRH4 Q9H3N8 7/20 0.49
SORD Q00796 5/20 0.48
CETP P11597 1/20 0.46
CYP1A2 P05177 3/20 0.44
HSD17B10 Q99714 2/20 0.44
HTR3E A5X5Y0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
HTR3B O95264 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ADRB1 P08588 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2C P28335 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR7 P34969 1/20 0.42
HTT P42858 1/20 0.42
HTR3A P46098 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6224825 0.96 HRH3 (0.54) HRH3HRH4SORDCETPCYP1A2
SCHEMBL11919248 0.84 HRH3 (0.59) HRH3HRH4SORDCYP1A2HSD17B10
SCHEMBL4113998 0.83 SORD (0.48) HRH4SORDCYP1A2HSD17B10USP2
Hydrochloric Acid SCHEMBL6978271 0.82 HRH3 (0.58) HRH3HRH4SORDCYP1A2HSD17B10
SCHEMBL2616799 0.81 SORD (0.51) HRH4SORDKDM4E
SCHEMBL28125284 0.80 HRH4 (0.63) HRH3HRH4SORDCYP1A2HSD17B10
SCHEMBL14525065 0.79 SORD (0.49) HRH4SORD
SCHEMBL7363690 0.78 AOC3 (0.54) HRH3HRH4ADRB1HTR2CHTR6
SCHEMBL6293482 0.77 HRH3 (0.55) HRH3HRH4SORDCYP1A2HSD17B10
SCHEMBL6586369 0.77 HRH3 (0.43) HRH3HRH4SORDCYP1A2HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022534-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA (GB) 2010-01-28 US disclosed
US-20090325954-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-12-31 US disclosed
US-20090270390-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA (SE) 2009-10-29 US disclosed
US-20090233926-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA (SE) 2009-09-17 US disclosed
EP-2069330-A1 2 -BENZIMIDAZOLYL- 6 -MORPHOLINO-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-06-17 EP disclosed
EP-2064203-A1 2-BENZIMIDAZ0LYL-6-M0RPH0LIN0-4-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-06-03 EP disclosed
EP-2061784-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-05-27 EP disclosed
EP-2057147-A1 PYRIMIDINE DERIVATIVES Astra Zeneca AB (SE) 2009-05-13 EP disclosed
WO-2008032064-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO disclosed
WO-2008032036-A1 6-BENZIMIDAZ0LYL-2-M0RPH0LIN0-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO disclosed
WO-2008032091-A1 4-BENZIMIDAZ0LYL-6-M0RPH0LIN0-2-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO disclosed
WO-2008032086-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO disclosed
WO-2008032027-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO disclosed
WO-2008032072-A1 2-BENZIMIDAZ0LYL-6-M0RPH0LIN0-4-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO disclosed
WO-2008032041-A1 PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST PI3K ENZYMES ASTRAZENECA AB (SE) 2008-03-20 WO disclosed
WO-2008032060-A1 4-BENZIMIDAZ0LYL-6-M0RPH0LIN0-2-PIPERAZINYLPYRIMIDINE DERIVATIVES AS P13K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO disclosed
WO-2008032089-A1 4-BENZIMIDAZ0LYL-2-M0RPH0LIN0-6-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO disclosed
WO-2008032033-A1 4-BENZIMIDAZOLYL-2-MORPHOLINO-6-PIPERAZINYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO disclosed
WO-2007066099-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-14 WO disclosed
WO-2007066103-A1 PYRIMIDINE DERIVATIVES AS CLASS I PI3K INHIBITOR ASTRAZENECA AB (SE) 2007-06-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090325954-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS PIK3CA, MTOR, PIK3CD HRH3 1741/4885HRH4 1624/4885SORD 1010/4885
US-20090233926-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS PIK3CA, MTOR, PIK3CD HRH3 1484/4885HRH4 1375/4885SORD 1333/4885
US-20100022534-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS MTOR, PIK3CA, PIK3CD HRH3 712/4885HRH4 797/4885SORD 1821/4885
US-20090270390-A1 PYRIMIDINE DERIVATIVES TYMP, DPYD, TYMS HRH3 551/4885HRH4 783/4885SORD 1913/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.