SCHEMBL3602231

SCHEMBL3602231

CC1CN(c2ncccc2Cl)CCN1c1cc(N2CCOCC2)nc(-c2ccc(F)c(F)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.49
HTT P42858 2/20 0.41
PIK3CA P42336 4/20 0.41
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PIK3CD O00329 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL13761235 1.00 TRPV1 (0.49) TRPV1HTTPIK3CACYP1A2CYP3A4
SCHEMBL3881787 0.86 TRPV1 (0.47) TRPV1PIK3CA
SCHEMBL3879476 0.81 TRPV1 (0.47) TRPV1PIK3CA
SCHEMBL3951697 0.81 TRPV1 (0.46) TRPV1PIK3CA
SCHEMBL3888987 0.81 TRPV1 (0.47) TRPV1PIK3CA
SCHEMBL13761243 0.81 TRPV1 (0.47) TRPV1PIK3CA
SCHEMBL3883938 0.81 TRPV1 (0.46) TRPV1PIK3CA
SCHEMBL3876090 0.80 TRPV1 (0.47) TRPV1PIK3CAKDM4ELMNA
SCHEMBL3943240 0.80 TRPV1 (0.49) TRPV1PIK3CAKDM4ELMNA
SCHEMBL3877119 0.80 TRPV1 (0.49) TRPV1PIK3CAKDM4ELMNA

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
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 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-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-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-2008032077-A1 PYRIMIDINE DERIVATIVES 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-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-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-2007066102-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 TRPV1 4151/4885HTT 2244/4885PIK3CA 1/4885
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 TRPV1 3857/4885HTT 2167/4885PIK3CA 1/4885
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 TRPV1 3977/4885HTT 1668/4885PIK3CA 2/4885
US-20090270390-A1 PYRIMIDINE DERIVATIVES TYMP, DPYD, TYMS TRPV1 4195/4885HTT 3206/4885PIK3CA 523/4885

“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.