SCHEMBL1772736

SCHEMBL1772736

[CH2]c1cn2c(ccc3ccccc32)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PBRM1 Q86U86 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
BRD4 O60885 1/20 0.33
BRPF1 P55201 1/20 0.33
KAT2B Q92831 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL3487056 0.77 MAP3K5 (0.42) MAP3K5SMN1; SMN2PBRM1L3MBTL1ALDH1A1
SCHEMBL1772738 0.77 SMN1; SMN2 (0.49) MAP3K5SMN1; SMN2PBRM1L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL10729866 0.75 MAP3K5 (0.39) MAP3K5SMN1; SMN2PBRM1L3MBTL1ALDH1A1
SCHEMBL10733216 0.73 ADORA2A (0.48) MAP3K5SMN1; SMN2PBRM1L3MBTL1ALDH1A1
SCHEMBL11276468 0.73 MAP3K5 (0.39) MAP3K5SMN1; SMN2PBRM1L3MBTL1ALDH1A1
SCHEMBL3335727 0.73 MAP3K5 (0.39) MAP3K5SMN1; SMN2PBRM1L3MBTL1ALDH1A1
SCHEMBL2929504 0.73 MAP3K5 (0.42) MAP3K5SMN1; SMN2PBRM1L3MBTL1ALDH1A1
SCHEMBL13424029 0.73 MAP3K5 (0.51) MAP3K5SMN1; SMN2PBRM1L3MBTL1ALDH1A1
SCHEMBL10728994 0.73 MAP3K5 (0.39) MAP3K5SMN1; SMN2PBRM1L3MBTL1ALDH1A1
SCHEMBL10730719 0.72 PTGS1 (0.50) MAP3K5SMN1; SMN2PBRM1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3542801-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2019-09-25 EP claimed
US-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-05-19 US claimed
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 US claimed
EP-2190434-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2010-06-02 EP claimed
WO-2009024542-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-26 WO claimed
EP-3542801-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2019-09-25 EP disclosed
EP-2190434-B1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2019-04-17 EP disclosed
US-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-05-19 US disclosed
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 US disclosed
EP-2190434-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2010-06-02 EP disclosed
WO-2009024542-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-26 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 (2 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-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, ENTPD5, NUDT14 MAP3K5 2181/4885SMN1; SMN2 2782/4885PBRM1 629/4885
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, PURB, NUDT14 MAP3K5 2680/4885SMN1; SMN2 2142/4885PBRM1 705/4885

“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.