SCHEMBL13310491

SCHEMBL13310491

Cc1n[nH]c(N)c1-c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.59
CHUK O15111 1/20 0.59
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
MAPT P10636 5/20 0.43
ACHE P22303 5/20 0.43
AKT2 P31751 3/20 0.43
APP P05067 2/20 0.43
BCHE P06276 2/20 0.43
GSK3B P49841 2/20 0.43
CHEK1 O14757 1/20 0.43
MAPK1 P28482 2/20 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
SCHEMBL842957 0.85 SMN1; SMN2 (0.47) IKBKBCHUKKMT2ASMN1; SMN2MEN1
SCHEMBL758310 0.81 MAPK14 (0.45) IKBKBCHUKKMT2AMEN1NPC1
SCHEMBL1248139 0.81 IKBKB (0.59) IKBKBKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL23091872 0.81 IKBKB (0.68) IKBKBCHUKKMT2ASMN1; SMN2MEN1
SCHEMBL1057636 0.81 AKT2 (0.66) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL27926884 0.79 AKT2 (0.46) IKBKBCHUKKMT2AAKT2CHEK1
SCHEMBL13516427 0.79 MAPT (0.50) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL10275234 0.77 KIF11 (0.44) IKBKBKMT2AMEN1NPC1RAB9A
SCHEMBL9182327 0.75 IKBKB (0.47) IKBKBCHUKKMT2ASMN1; SMN2MEN1
SCHEMBL15020487 0.75 MAPT (0.54) KMT2ASMN1; SMN2MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 EP disclosed
WO-2016071216-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 WO disclosed
US-7737154-B2 CRF receptor antagonists and methods relating thereto SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2010-06-15 US disclosed
US-20070293511-A1 Crf Receptor Antagonists and Methods SB PHARMCO PUERTO RICO INC. AND NEUROCRINE BIOSCIENCES, INC., A CORPORATION 2007-12-20 US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 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 (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-20070293511-A1 Crf Receptor Antagonists and Methods CRHR1, CRHR2, CRH IKBKB 3960/4885CHUK 1681/4885KMT2A 2996/4885
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto CRHR1, CRHR2, CRH IKBKB 3486/4885CHUK 1639/4885KMT2A 3165/4885
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 IKBKB 394/4885CHUK 537/4885KMT2A 3881/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 IKBKB 394/4885CHUK 537/4885KMT2A 3881/4885

“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.