SCHEMBL171083

SCHEMBL171083

CNC(=O)c1cc(C)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.48
KDR P35968 2/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CNR1 P21554 1/20 0.45
POLB P06746 1/20 0.45
CSF1R P07333 1/20 0.45
FLT3 P36888 1/20 0.45
BAZ2B Q9UIF8 1/20 0.44
FDPS P14324 1/20 0.44
UHRF1 Q96T88 1/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
GRM5 P41594 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALKBH2 Q6NS38 3/20 0.43
ALKBH3 Q96Q83 3/20 0.43
FTO Q9C0B1 3/20 0.43

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
SCHEMBL29580736 1.00 CTSA (0.48) CTSAKDRNPC1RAB9ACNR1
SCHEMBL14550488 0.87 CTSA (0.45) CTSANPC1RAB9ACSF1RFLT3
SCHEMBL107759 0.83 CTSA (0.50) CTSANPC1RAB9ACSF1RFLT3
SCHEMBL163711 0.82 KDR (0.48) KDRNPC1RAB9ACNR1POLB
SCHEMBL30201887 0.81 KDR (0.47) KDRNPC1RAB9ACSF1RBAZ2B
SCHEMBL2642554 0.81 KDR (0.47) KDRNPC1RAB9ACSF1RBAZ2B
SCHEMBL3257638 0.81 KDR (0.47) KDRNPC1RAB9ACSF1RBAZ2B
SCHEMBL346168 0.80 ANO1 (0.58) CSF1RFLT3
SCHEMBL8486170 0.80 CTSA (0.54) CTSANPC1RAB9ACNR1CSF1R
SCHEMBL10274536 0.80 KMT2A (0.50) CTSANPC1RAB9ACNR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373210-A1 HETEROCYCLIC DIAMIDE INVERTEBRATE PEST CONTROL AGENTS E. I. du Pont de Nemours and Company (US) 2004-01-02 EP claimed
WO-2002070483-A1 HETEROCYCLIC DIAMIDE INVERTEBRATE PEST CONTROL AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-09-12 WO claimed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
WO-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
WO-2021226458-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
WO-2021101854-A1 COMPOUNDS AND METHODS OF PREPARING COMPOUNDS S1P1 MODULATORS TREVENA, INC. (US) 2021-05-27 WO disclosed
US-10709712-B2 Biaryl amide compounds as kinase inhibitors NOVARTIS AG (CH) 2020-07-14 US disclosed
US-20190175606-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2019-06-13 US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
WO-2007071738-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP disclosed
US-6521643-B1 Prevention and/or treatment of nitric oxide synthasey medi-ated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, diabetes, ulcerative colitis, cerebral infarction, osteoarthritis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-18 US disclosed
EP-1157022-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-28 EP disclosed
WO-2000049015-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR CTSA 490/4885KDR 3433/4885NPC1 1106/4885
US-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS CTSA 4112/4885KDR 532/4885NPC1 1937/4885
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CTSA 4378/4885KDR 561/4885NPC1 2922/4885
US-10709712-B2 Biaryl amide compounds as kinase inhibitors BRAF, RAF1, NRAS CTSA 3605/4885KDR 661/4885NPC1 1297/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CTSA 1547/4885KDR 406/4885NPC1 301/4885
US-20190175606-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS BRAF, RAF1, NRAS CTSA 3605/4885KDR 661/4885NPC1 1297/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 CTSA 1728/4885KDR 1492/4885NPC1 4274/4885

“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.