SCHEMBL1763375

SCHEMBL1763375

FC(F)(F)c1ccc(-c2cc[nH]n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.47
NOTUM Q6P988 1/20 0.42
NISCH Q9Y2I1 1/20 0.41
GFER P55789 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
LTA4H P09960 1/20 0.38
SNCA P37840 1/20 0.38
MAOB P27338 2/20 0.37
KDM1A O60341 1/20 0.37
TOP1 P11387 1/20 0.37
F2RL3 Q96RI0 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
SCHEMBL3366573 0.91 SCN9A (0.46) KIF11NOTUM
SCHEMBL16766999 0.82 LMNA (0.36) NOTUMNPC1POLBRAB9AIDO1
SCHEMBL14684166 0.82 IDO1 (0.40) NOTUMKDM4ERAB9AIDO1KDM1A
SCHEMBL17680284 0.81 AKT1 (0.41) KIF11KDM4ENPC1RAB9ALTA4H
SCHEMBL10145021 0.80 KIF11 (0.45) KIF11NOTUMNISCHKDM4ENPC1
SCHEMBL99662 0.78 IDO1 (0.59) NOTUMKDM4EPOLBIDO1MAOB
SCHEMBL182267 0.77 NOTUM (0.47) KIF11NOTUMNISCHKDM4ENPC1
SCHEMBL30509975 0.77 KDM5A (0.39) KIF11KDM4E
SCHEMBL989177 0.77 CA12 (0.42) NOTUMNPC1POLBRAB9AATM
SCHEMBL25538453 0.77 CYP11B2 (0.42) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106029640-B Pyrazolinone compounds and application thereof 泰普斯特医疗公司 2018-08-24 CN claimed
CN-103554111-A Aromatic heterocyclic pyridine derivatives and analogs, and preparation method and application thereof LIAONING LIFENG SCIENCE AND TECHNOLOGY DEV CO LTD 2014-02-05 CN claimed
US-20260070922-A1 PYRAZOLE AND IMIDAZOLE DERIVATIVES AS DUAL OREXIN AND KAPPA-OPIOID RECEPTORS MODULATORS COMPOSITION, METHODS FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS HAGER BIOSCIENCES, LLC (US) 2026-03-12 US disclosed
EP-4580620-A2 PYRAZOLE AND IMIDAZOLE DERIVATIVES AS DUAL OREXIN AND KAPPA-OPIOID RECEPTORS MODULATORS, COMPOSITION, METHODS FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS Hager Biosciences, LLC (US) 2025-07-09 EP disclosed
WO-2024050061-A2 PYRAZOLE AND IMIDAZOLE DERIVATIVES AS DUAL OREXIN AND KAPPA-OPIOID RECEPTORS MODULATORS, COMPOSITION, METHODS FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS HAGER BIOSCIENCES, LLC (US) 2024-03-07 WO disclosed
CN-106029640-B Pyrazolinone compounds and application thereof 泰普斯特医疗公司 2018-08-24 CN disclosed
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-07-21 US disclosed
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-03-17 US disclosed
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-11-19 US disclosed
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-09-17 US disclosed
WO-2004080984-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-09-23 WO disclosed
EP-1448554-A1 PROPYLCARBAMATE DERIVATIVES AS INHIBITORS OF SERINE AND CYSTEINE PROTEASES SmithKline Beecham Corporation (US) 2004-08-25 EP disclosed
US-20040110785-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2004-06-10 US disclosed
EP-1411933-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-04-28 EP disclosed
WO-2004014380-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-19 WO disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed
WO-2003031437-A1 PROPYLCARBAMATE DERIVATIVES AS INHIBITORS OF SERINE AND CYSTEINE PROTEASES SMITHKLINE BEECHAM CORPORATION (US) 2003-04-17 WO disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 WO disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 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-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 KIF11 3559/4885NOTUM 1119/4885NISCH 392/4885
US-20040110785-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives ITPA, IDO1, IDO2 KIF11 3144/4885NOTUM 1184/4885NISCH 300/4885
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 KIF11 2579/4885NOTUM 1578/4885NISCH 328/4885
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 KIF11 3559/4885NOTUM 1119/4885NISCH 392/4885
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 KIF11 2579/4885NOTUM 1578/4885NISCH 328/4885
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP KIF11 2704/4885NOTUM 677/4885NISCH 837/4885
US-20260070922-A1 PYRAZOLE AND IMIDAZOLE DERIVATIVES AS DUAL OREXIN AND KAPPA-OPIOID RECEPTORS MODULATORS COMPOSITION, METHODS FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS OPRK1, OPRD1, HCRTR2 KIF11 2740/4885NOTUM 4605/4885NISCH 4246/4885

“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.