SCHEMBL357762

SCHEMBL357762

CCc1nnc(N2CCC(O)CC2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPK1 P28482 3/20 0.43
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
NPC1 O15118 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.42
HRH3 Q9Y5N1 2/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 3/20 0.39
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
GLS O94925 1/20 0.35

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
SCHEMBL22197894 0.79 ALDH1A1 (0.53) MEN1ALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL12177990 0.77 HRH3 (0.49) MEN1ALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL3601230 0.75 HRH3 (0.44) ALDH1A1SMN1; SMN2KMT2AMAPK1HTT
SCHEMBL3603369 0.74 ALDH1A1 (0.69) MEN1ALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL26759388 0.71 HRH3 (0.43) ALDH1A1SMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL11823186 0.62 ALDH1A1 (0.40) MEN1ALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL22216924 0.62 IDO1 (0.42) MEN1ALDH1A1SMN1; SMN2KMT2AHTT
Propane SCHEMBL10588661 0.61 LMNA (0.60) MEN1ALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL5883957 0.61 HRH3 (0.44) MEN1ALDH1A1SMN1; SMN2MAPK1NPC1
SCHEMBL13918374 0.61 MAPT (0.40) MEN1ALDH1A1KMT2AHTTRAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
EP-2390254-A1 NOVEL PYRROLOÝ2,3-d¨PYRIMIDINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2011-11-30 EP disclosed
US-20110257678-A1 VASCULAR EMBOLIC FILTER EXCHANGE DEVICES AND METHODS OF USE THEREOF INCEPT LLC (US) 2011-10-20 US 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 (1 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-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND GPR119, GPR139, HCAR1 MEN1 4883/4885ALDH1A1 1676/4885SMN1; SMN2 4680/4885

“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.