SCHEMBL2396451

SCHEMBL2396451

Nc1nc(Cl)cc(C(F)(F)F)n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.59
HSP90AA1 P07900 4/20 0.59
KDM4E B2RXH2 7/20 0.56
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 2/20 0.56
GRM4 Q14833 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
PTGS2 P35354 1/20 0.42
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL10900625 0.84 HSP90AA1 (0.71) HSP90AB1HSP90AA1KDM4EHSD17B10ALDH1A1
SCHEMBL24253736 0.83 HSP90AB1 (0.41) HSP90AB1HSP90AA1KDM4EHSD17B10ALDH1A1
SCHEMBL29566785 0.78 HSD17B10 (0.55) HSP90AB1HSP90AA1KDM4EHSD17B10KMT2A
SCHEMBL8058901 0.78 ADORA2A (0.44) HSP90AB1HSP90AA1KDM4EHSD17B10ALDH1A1
SCHEMBL5748941 0.78 HSD17B10 (0.55) HSP90AB1HSP90AA1KDM4EHSD17B10KMT2A
SCHEMBL29762932 0.78 ADORA2A (0.44) HSP90AB1HSP90AA1KDM4EHSD17B10ALDH1A1
SCHEMBL628056 0.77 NT5E (0.39) HSP90AB1HSP90AA1KDM4EHSD17B10ALDH1A1
SCHEMBL5788589 0.77 HSP90AA1 (0.63) HSP90AB1HSP90AA1KDM4EHSD17B10ALDH1A1
SCHEMBL6294671 0.76 NT5E (0.38) HSP90AB1HSP90AA1KDM4EHSD17B10ALDH1A1
SCHEMBL140640 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567498-A Sodium hydride suspension and application thereof in flow chemical reaction 武汉药明康德新药开发有限公司 2024-02-20 CN claimed
CN-117069063-A Sodium hydride suspension and application thereof in flow chemical reaction 武汉药明康德新药开发有限公司 2023-11-17 CN claimed
US-11773067-B2 (Trifluoromethyl)pyrimidine-2-amine compounds ELI LILLY AND COMPANY (US) 2023-10-03 US claimed
US-12630534-B2 1-((1H-pyrazol-4-yl)methyl)-3-(phenyl)-1,3-dihydro-2H-imidazol-2-one derivatives and related compounds as GPR139 antagonists for the treatment of e.g. depression TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-05-19 US disclosed
WO-2025224010-A1 IMPROVED O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE SUBSTRATES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2025-10-30 WO disclosed
US-20250092042-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-03-20 US disclosed
US-20250002461-A1 DEUTERATED (TRIFLUOROMETHYL)PYRIMIDINE-2-AMINE COMPOUNDS AS POTENTIATORS OF THE HMRGX1 RECEPTOR ELI LILLY AND COMPANY 2025-01-02 US disclosed
US-12157737-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof NOVARTIS AG (CH) 2024-12-03 US disclosed
CN-115803321-B 4- (2, 6-Difluorophenoxy) -6- (trifluoromethyl) pyrimidin-2-amine derivatives as enhancers of HMRGX-receptors for the treatment of pain 伊莱利利公司 2024-11-15 CN disclosed
CN-118251381-A Deuterated (trifluoromethyl) pyrimidin-2-amine compounds as enhancers of HMRGX's 1 receptor 伊莱利利公司 2024-06-25 CN disclosed
EP-4146630-B1 4-(2,6-DIFLUOROPHENOXY)-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE DERIVATIVES AS POTENTIATORS OF THE HMRGX1 RECEPTOR FOR THE TREATMENT OF PAIN LILLY CO ELI (US) 2024-04-24 EP disclosed
US-5952331-A SELECTIVE 5HT2B ANTAGONISTS; SEROTONIN RECEPTOR ANTAGONIST; TREATING DISORDERS OF THE GASTROINTESTINAL TRACK, RESTENOSIS, ASTHMA AND OBSTRUCTIVE AIRWAY DISEASE, PROSTATIC HYPERPLASIA, GENERALIZED ANXIETY, PANIC DISORDER SYNTEX (USA) INC. (US) 1999-09-14 US disclosed
CN-1223641-A Aryl pyrimidine derivatives HOFFMANN LA ROCHE (CH) 1999-07-21 CN disclosed
EP-0628031-B1 HERBICIDE N- (PYRIMIDIN-2-YL)AMINOCARBONYL] BENZENE SULPHONAMIDES BASF AG (DE) 1999-06-16 EP disclosed
EP-0901474-A1 ARYL PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
US-5863924-A Aryl pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1999-01-26 US disclosed
WO-1997044326-A1 ARYL PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-27 WO disclosed
US-5612286-A FLUORINE SUBSTITUTED HEERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-18 US disclosed
EP-0628031-A1 HERBICIDE N- (PYRIMIDIN-2-YL)AMINOCARBONYL] BENZENE SULPHONAMIDES BASF Aktiengesellschaft (DE) 1994-12-14 EP disclosed
WO-1993016998-A1 HERBICIDE N-[(PYRIMIDIN-2-YL)AMINOCARBONYL] BENZENE SULPHONAMIDES BASF AKTIENGESELLSCHAFT (DE) 1993-09-02 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 (5 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-12157737-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof REN, NR3C2, PKD1 HSP90AB1 2143/4885HSP90AA1 2357/4885KDM4E 2714/4885
US-11773067-B2 (Trifluoromethyl)pyrimidine-2-amine compounds P2RX1, P2RX2, P2RY1 HSP90AB1 2427/4885HSP90AA1 2606/4885KDM4E 1718/4885
US-20250092042-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF REN, PKD1, PKD2 HSP90AB1 2009/4885HSP90AA1 1958/4885KDM4E 2744/4885
US-20250002461-A1 DEUTERATED (TRIFLUOROMETHYL)PYRIMIDINE-2-AMINE COMPOUNDS AS POTENTIATORS OF THE HMRGX1 RECEPTOR P2RX1, P2RX2, P2RX3 HSP90AB1 2519/4885HSP90AA1 2775/4885KDM4E 3250/4885
US-12630534-B2 1-((1H-pyrazol-4-yl)methyl)-3-(phenyl)-1,3-dihydro-2H-imidazol-2-one derivatives and related compounds as GPR139 antagonists for the treatment of e.g. depression GPR139, OPRL1, GRIN2C HSP90AB1 1924/4885HSP90AA1 2143/4885KDM4E 2423/4885

“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.