SCHEMBL3225997

SCHEMBL3225997

CCc1c[nH]c2ncc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.47
MAP4K1 Q92918 4/20 0.47
ABL1 P00519 1/20 0.45
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
CYP2C9 P11712 4/20 0.44
HTR1A P08908 1/20 0.43
CYP2D6 P10635 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
BRAF P15056 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KDR P35968 2/20 0.40
FLT3 P36888 2/20 0.40
TRPA1 O75762 1/20 0.40
CSF1R P07333 1/20 0.40
KIT P10721 1/20 0.40

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
SCHEMBL30275071 0.82 CYP2D6 (0.43) CYP3A4MAP4K1ABL1CYP2C9HTR1A
SCHEMBL30275230 0.81 TSHR (0.56) CYP3A4MAP4K1CYP2C9HTR1ACYP2D6
SCHEMBL12762846 0.81 CYP3A4 (0.48) CYP3A4MAP4K1ABL1PRMT5WDR77
SCHEMBL12146866 0.81 CYP3A4 (0.48) CYP3A4MAP4K1ABL1PRMT5WDR77
SCHEMBL25297431 0.80 CYP3A4 (0.46) CYP3A4CYP2C9HTR1ACYP2D6DRD2
SCHEMBL30566026 0.80 CYP3A4 (0.46) CYP3A4CYP2C9HTR1ACYP2D6DRD2
SCHEMBL31636024 0.80 CYP3A4 (0.46) CYP3A4CYP2C9HTR1ACYP2D6DRD2
SCHEMBL31636000 0.80 MPO (0.54) CYP3A4CYP2C9HTR1ACYP2D6DRD2
SCHEMBL30566018 0.80 MPO (0.57) CYP3A4HTR1ACYP2D6DRD2HTR2A
SCHEMBL25247016 0.80 MPO (0.57) CYP3A4HTR1ACYP2D6DRD2HTR2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
EP-3141252-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Inc. (US) 2017-03-15 EP disclosed
CN-101646656-B Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI AVENTIS SPA 2013-08-14 CN disclosed
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US disclosed
CN-101646656-A Pyrimidine hydrazide compounds as the PGDS inhibitor SANOFI AVENTIS FR 2010-02-10 CN disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 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 (2 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP3A4 1414/4885MAP4K1 3642/4885ABL1 3943/4885
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 CYP3A4 398/4885MAP4K1 2407/4885ABL1 3612/4885

“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.