SCHEMBL4781697

SCHEMBL4781697

Cc1nc(C(F)(F)F)nn1C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.33
PDE10A Q9Y233 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL20320456 0.78 AOC3 (0.33)
SCHEMBL9972335 0.76 HTT (0.32) HTTALDH1A1KMT2A
SCHEMBL2889631 0.74 HTT (0.31) HTT
SCHEMBL10573778 0.74 HTT (0.31) HTT
SCHEMBL10748672 0.74 POLB (0.33) HTTPOLB
SCHEMBL18865739 0.74 HTT (0.38) HTT
SCHEMBL13093295 0.73 AOC3 (0.31) HTT
SCHEMBL17380242 0.71
SCHEMBL13104379 0.71
SCHEMBL16991801 0.71 PDE4A (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 US disclosed
WO-2023164236-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
WO-2023164235-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
WO-2023083285-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 WO disclosed
WO-2023083286-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 WO disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
EP-3439653-B1 REDUCING TUMOR BURDEN BY ADMINISTERING CCR1 ANTAGONISTS IN COMBINATION WITH PD-1 INHIBITORS OR PD-L1 INHIBITORS CHEMOCENTRYX INC (US) 2021-01-20 EP disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 US disclosed
WO-2017109858-A1 CONDENSED 11-MEMBERED RING COMPOUND, AND AGRICULTURAL AND HORTICULTURAL GERMICIDE INCLUDING SAME 株式会社エス・ディー・エス バイオテック 2017-06-29 WO disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
WO-2010089993-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES クミアイ化学工業株式会社 (JP) 2010-08-12 WO disclosed
US-20100197674-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-05 US disclosed
US-20100197674-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-05 US disclosed
EP-2174934-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-04-14 EP disclosed
US-20100063067-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
WO-2008074991-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2008-06-26 WO disclosed
WO-2008074991-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2008-06-26 WO disclosed
WO-2008042925-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-10 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 (6 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-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP HTT 2300/4885ALDH1A1 569/4885KMT2A 909/4885
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 HTT 584/4885ALDH1A1 865/4885KMT2A 40/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP HTT 2300/4885ALDH1A1 569/4885KMT2A 909/4885
US-20100063067-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CXCR1, CCR1, ACKR3 HTT 4690/4885ALDH1A1 740/4885KMT2A 4081/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HTT 4049/4885ALDH1A1 649/4885KMT2A 2804/4885
US-20100197674-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE CBR3, CBR1, DDT HTT 2517/4885ALDH1A1 1180/4885KMT2A 1530/4885

“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.