SCHEMBL3100883

SCHEMBL3100883

NC(=O)c1cccc(N)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.48
PIM3 Q86V86 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ACMSD Q8TDX5 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
XIAP P98170 1/20 0.41
BIRC2 Q13490 1/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ASIC3 Q9UHC3 1/20 0.39
GRM4 Q14833 1/20 0.38
SCN9A Q15858 2/20 0.38
MBOAT4 Q96T53 1/20 0.38
NNMT P40261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
P2RX7 Q99572 1/20 0.37

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
Pyridine Dicarboxamide SCHEMBL229425 0.85 TSHR (0.59) PIM1KDM4EALOX15TSHRACMSD
Pyridine Dicarboxamide SCHEMBL29587789 0.85 TSHR (0.59) PIM1KDM4EALOX15TSHRACMSD
Pyridine Dicarboxamide SCHEMBL38659131 0.83 TSHR (0.56) PIM1KDM4EALOX15TSHRACMSD
Pyridine Dicarboxamide SCHEMBL29501171 0.83 TSHR (0.56) PIM1KDM4EALOX15TSHRACMSD
Pyridine Dicarboxamide SCHEMBL29031925 0.83 TSHR (0.56) PIM1KDM4EALOX15TSHRACMSD
Pyridine Dicarboxamide SCHEMBL15347496 0.83 TSHR (0.56) PIM1KDM4EALOX15TSHRACMSD
SCHEMBL221380 0.82 KDM4E (0.70) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29956648 0.82 KDM4E (0.70) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL31045457 0.80 ALDH1A1 (0.47) PIM1PIM3KDM4EALOX15TSHR
SCHEMBL13159666 0.80 ALDH1A1 (0.47) PIM1PIM3KDM4EALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed
US-20090264411-A1 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-10-22 US claimed
WO-2025226545-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION PRETZEL THERAPEUTICS, INC. (US) 2025-10-30 WO disclosed
EP-4327884-A2 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASES Origenis GmbH (DE) 2024-02-28 EP disclosed
US-20240052418-A1 METHOD FOR PREDICTING A SUBJECT'S RESPONSE TO SLC MODULATOR THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-02-15 US disclosed
US-11814681-B2 Method for predicting a subjects response to SLC modulator therapy THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-11-14 US disclosed
CN-116410441-A Water-based polyurethane-acrylate emulsion and preparation method thereof 万华化学集团股份有限公司 2023-07-11 CN disclosed
US-20210254158-A1 METHOD FOR PREDICTING A SUBJECTS RESPONSE TO SLC MODULATOR THERAPY RESEARCH FOUNDATION FOR MENTAL HYGIENE, INC. 2021-08-19 US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
WO-2020099885-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2020-05-22 WO disclosed
WO-2019046303-A1 A METHOD FOR PREDICTING A SUBJECT'S RESPONSE TO SLC MODULATOR THERAPY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-03-07 WO disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 US disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 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 (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-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 PIM1 4097/4885PIM3 4329/4885KDM4E 2772/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC PIM1 2933/4885PIM3 3231/4885KDM4E 922/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR PIM1 1472/4885PIM3 1881/4885KDM4E 1056/4885
US-20090264411-A1 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS MAPK15, MOK, MAPK14 PIM1 612/4885PIM3 682/4885KDM4E 825/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR PIM1 1472/4885PIM3 1881/4885KDM4E 1056/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 PIM1 2443/4885PIM3 2690/4885KDM4E 850/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK PIM1 489/4885PIM3 805/4885KDM4E 1645/4885

“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.