SCHEMBL4435378

SCHEMBL4435378

N#Cc1nn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.54
ACHE P22303 1/20 0.54
CNR2 P34972 1/20 0.54
ELANE P08246 1/20 0.50
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PDE5A O76074 3/20 0.48
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 2/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL20534349 0.89 CNR1 (0.43) CNR1ACHECNR2ELANEALDH1A1
SCHEMBL19328149 0.89 CNR1 (0.43) CNR1ACHECNR2ELANEALDH1A1
SCHEMBL14853614 0.88 PTGER4 (0.47) CNR1ACHECNR2ELANEALDH1A1
SCHEMBL20534347 0.86 APP (0.48) CNR1ACHECNR2ELANEALDH1A1
SCHEMBL14853618 0.86 BUB1 (0.42) CNR1ACHECNR2ELANEALDH1A1
SCHEMBL28253344 0.85 ELANE (0.43) CNR1ACHECNR2ELANEALDH1A1
SCHEMBL14842958 0.84 CNR2 (0.62) CNR1ACHECNR2ALDH1A1SMN1; SMN2
SCHEMBL31512385 0.84 CNR2 (0.62) CNR1ACHECNR2ALDH1A1SMN1; SMN2
SCHEMBL17876771 0.84 TSHR (0.43) CNR1ACHECNR2ALDH1A1SMN1; SMN2
SCHEMBL20140445 0.83 ELANE (0.41) CNR1ACHECNR2ELANEALDH1A1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10675268-B2 Somatostatin receptor subtype 4 (SSTR4) agonists CENTREXION THERAPEUTICS CORPORATION (US) 2020-06-09 US disclosed
US-10604532-B2 Substituted benzylindazoles for use as BUB1 kinase inhibitors in the treatment of hyperproliferative diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2020-03-31 US disclosed
US-20190284206-A1 SUBSTITUTED BENZYLINDAZOLES FOR USE AS BUB1 KINASE INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-09-19 US disclosed
US-20190269650-A1 NEW SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2019-09-05 US disclosed
US-10266548-B2 Substituted benzylindazoles for use as Bub1 kinase inhibitors in the treatment of hyperproliferative diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-04-23 US disclosed
US-10166214-B2 Somatostatin receptor subtype 4 (SSTR4) agonists CENTREXION THERAPEUTICS CORPORATION (US) 2019-01-01 US disclosed
US-20180092880-A1 SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2018-04-05 US disclosed
US-20180092880-A1 SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2018-04-05 US disclosed
EP-2763982-B1 SUBSTITUTED BENZYLINDAZOLES FOR USE AS BUB1 KINASE INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES. Bayer Pharma AG (DE) 2018-01-10 EP disclosed
EP-2997021-B1 NEW SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS CENTREXION THERAPEUTICS CORP (US) 2017-12-20 EP disclosed
EP-0934311-B1 NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES BAYER HEALTHCARE AG (DE) 2009-05-13 EP disclosed
WO-2007065010-A2 ANTI-ANGIOGENESIS COMPOUNDS HIF BIO, INC. (US) 2007-06-07 WO disclosed
US-6462068-B1 CARDIOVASCULAR DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
US-6414009-B1 CARDIOVASCULAR DISORDERS; ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-02 US disclosed
US-6410740-B1 CYCLIZATION OF THE CORRESPONDING AMIDE BAYER AKTIENGESELLSCHAFT (DE) 2002-06-25 US disclosed
US-6387940-B1 CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6166027-A Heterocyclylmethyl-substituted pyrazole derivatives and their use for treating cardiovascular diseases BAYER AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
CN-1241188-A Heterocyclylmethyl-substed pyrazol derivs. BAYER AG (DE) 2000-01-12 CN disclosed
EP-0934311-A2 NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES BAYER AG (DE) 1999-08-11 EP disclosed
WO-1998016507-A2 NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES BAYER AKTIENGESELLSCHAFT (DE) 1998-04-23 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 (7 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-20180092880-A1 SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS SSTR4, SSTR3, SSTR1 CNR1 129/4885ACHE 3014/4885CNR2 178/4885
US-20190269650-A1 NEW SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS SSTR4, SSTR3, SSTR1 CNR1 97/4885ACHE 3400/4885CNR2 143/4885
US-10604532-B2 Substituted benzylindazoles for use as BUB1 kinase inhibitors in the treatment of hyperproliferative diseases BUB1, BUB1B, BUB3 CNR1 3404/4885ACHE 4858/4885CNR2 4075/4885
US-20190284206-A1 SUBSTITUTED BENZYLINDAZOLES FOR USE AS BUB1 KINASE INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BUB1, BUB1B, BUB3 CNR1 3404/4885ACHE 4858/4885CNR2 4075/4885
US-10675268-B2 Somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR3, SSTR1 CNR1 129/4885ACHE 3014/4885CNR2 178/4885
US-10166214-B2 Somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR3, SSTR1 CNR1 129/4885ACHE 3014/4885CNR2 178/4885
US-10266548-B2 Substituted benzylindazoles for use as Bub1 kinase inhibitors in the treatment of hyperproliferative diseases BUB1, BUB1B, BUB3 CNR1 3404/4885ACHE 4858/4885CNR2 4075/4885

“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.