SCHEMBL9967739

SCHEMBL9967739

CC(C)c1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.41
PDE2A O00408 2/20 0.38
AHR P35869 1/20 0.36
NOTUM Q6P988 1/20 0.35
KLRK1 P26718 1/20 0.34
MICA Q29983 1/20 0.34
RAET1L Q5VY80 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
P2RX3 P56373 1/20 0.34
TACR1 P25103 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
SLC13A3 Q8WWT9 1/20 0.33
S1PR1 P21453 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
KRAS P01116 1/20 0.33
SOS1 Q07889 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL19321650 0.86 GABRA1 (0.33) RAPGEF4PDE2AGABRA1GABRB1TDP1
SCHEMBL24673443 0.84 TACR1 (0.35) RAPGEF4PDE2AAHRP2RX3TACR1
SCHEMBL437277 0.84 TACR1 (0.42) RAPGEF4PDE2ATACR1S1PR1ALDH1A1
SCHEMBL10629252 0.84 TACR1 (0.39) PDE2AGABRA1TACR1S1PR1ALDH1A1
SCHEMBL16959193 0.84 RAPGEF4 (0.39) RAPGEF4PDE2AAHRNOTUMKLRK1
SCHEMBL17069226 0.84 RAPGEF4 (0.39) RAPGEF4PDE2AAHRNOTUMKLRK1
SCHEMBL17069227 0.84 RAPGEF4 (0.39) RAPGEF4PDE2AAHRNOTUMKLRK1
SCHEMBL28672817 0.84 TACR1 (0.42) RAPGEF4PDE2AAHRTACR1KRAS
SCHEMBL630804 0.84 PDE2A (0.47) RAPGEF4PDE2AAHRNOTUMKLRK1
SCHEMBL28672819 0.84 TACR1 (0.42) RAPGEF4PDE2AAHRTACR1KRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145369-A1 COMPOUNDS FOR TREATMENT OF HAIR LOSS PELAGE PHARMACEUTICALS, INC. (US) 2024-07-04 WO disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20230322753-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOI INC. (KR) 2023-10-12 US disclosed
EP-3860987-B1 PESTICIDALLY ACTIVE BENZENE- AND AZINE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2023-07-19 EP disclosed
EP-3752498-B1 SOMATOSTATIN MODULATORS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2023-06-28 EP disclosed
EP-3867237-B1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2023-06-07 EP disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-20230143596-A1 PESTICIDALLY ACTIVE DIAZINE-BISAMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-05-11 US disclosed
US-20230143596-A1 PESTICIDALLY ACTIVE DIAZINE-BISAMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-05-11 US disclosed
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-04-20 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-20150045332-A1 Novel Sphingosine 1-Phosphate Receptor Antagonists ARROYO BIOSCIENCES L.L.C. 2015-02-12 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
WO-2009116577-A1 PROCESSES FOR PRODUCTION OF 1-(SUBSTITUTED PHENYL)-1- SUBSTITUTED SILYL ETHERS, ALCOHOLS OR KETONES, AND INTERMEDIATES 日産化学工業株式会社 (JP) 2009-09-24 WO disclosed
WO-2008076041-A1 AZETIDINAZABICYCLO [3.2.1] OCTAN DERIVATIVES THAT ARE NEUROKININ (NK) RECEPTOR ANTAGONISTS AND THEIR USE. ALBIREO AB (SE) 2008-06-26 WO disclosed
WO-2008076042-A1 AZETIDINPIPERAZINE DERIVATIVES THAT ARE NEUROKININ (NK) RECEPTOR ANTAGONISTS AND THEIR USE. ASTRAZENECA AB (SE) 2008-06-26 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 (8 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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV RAPGEF4 1671/4885PDE2A 2058/4885AHR 4664/4885
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF RAPGEF4 498/4885PDE2A 2982/4885AHR 1931/4885
US-20150045332-A1 Novel Sphingosine 1-Phosphate Receptor Antagonists S1PR2, S1PR1, S1PR5 RAPGEF4 340/4885PDE2A 2313/4885AHR 1883/4885
US-20230143596-A1 PESTICIDALLY ACTIVE DIAZINE-BISAMIDE COMPOUNDS DDT, ACHE, NIT2 RAPGEF4 3036/4885PDE2A 136/4885AHR 1879/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD RAPGEF4 2093/4885PDE2A 2251/4885AHR 1551/4885
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS STING1, CGAS, MAVS RAPGEF4 471/4885PDE2A 580/4885AHR 3862/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 RAPGEF4 3925/4885PDE2A 2430/4885AHR 2476/4885
US-20230322753-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT ERBB4, ERBB2, ERBB3 RAPGEF4 1365/4885PDE2A 4754/4885AHR 36/4885

“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.