SCHEMBL1853374

SCHEMBL1853374

C=CCNc1ncc(Br)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.43
IGF1R P08069 1/20 0.43
FGFR1 P11362 1/20 0.43
KDR P35968 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
MTOR P42345 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
HCAR3 P49019 1/20 0.38
GAA P10253 2/20 0.36
KMT2A Q03164 4/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 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
SCHEMBL2163151 0.76 ALDH1A1 (0.54) ALDH1A1HTTKDM4ELMNAHPGD
SCHEMBL1853871 0.75 HCAR3 (0.57) ALDH1A1HTTKDM4ELMNAHPGD
SCHEMBL29957301 0.75 HCAR3 (0.38) INSRIGF1RFGFR1KDRALDH1A1
SCHEMBL88752 0.74 MAPT (0.41) ALDH1A1HTTKDM4ELMNAHPGD
SCHEMBL24449963 0.73 ALDH1A1 (0.49) INSRIGF1RFGFR1KDRALDH1A1
SCHEMBL24741295 0.72 ALDH1A1 (0.34) INSRIGF1RFGFR1KDRALDH1A1
SCHEMBL2068114 0.71 NPC1 (0.50) IGF1RALDH1A1HTTKDM4ELMNA
SCHEMBL20722638 0.71 ALDH1A1 (0.50) INSRIGF1RFGFR1KDRALDH1A1
SCHEMBL11195162 0.70 GAA (0.46) INSRIGF1RFGFR1KDRALDH1A1
SCHEMBL369672 0.70 MAPT (0.44) INSRIGF1RFGFR1KDRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023185073-A1 PARP7 INHIBITOR AND USE THEREOF 诺沃斯达药业(上海)有限公司 2023-10-05 WO disclosed
US-8853420-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
EP-2471787-A1 New compounds Boehringer Ingelheim International GmbH (DE) 2012-07-04 EP disclosed
US-20110263565-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
EP-2324012-A1 NEW COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP disclosed
WO-2010012747-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 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 (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-20110263565-A1 COMPOUNDS MKI67, CCNA1, CCNT1 INSR 36/4885IGF1R 53/4885FGFR1 57/4885

“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.