SCHEMBL3935913

SCHEMBL3935913

Cc1ccc2nccc(C(F)(F)F)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.50
ADRA1D P25100 3/20 0.50
ADRA1A P35348 3/20 0.50
ADRA1B P35368 3/20 0.50
AR P10275 2/20 0.45
PRKD3 O94806 1/20 0.44
PRKCG P05129 1/20 0.44
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
FLT4 P35916 1/20 0.44
FLT3 P36888 1/20 0.44
FRK P42685 1/20 0.44
CDK8 P49336 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CDK5 Q00535 1/20 0.44
ACVR1 Q04771 1/20 0.44
MST1R Q04912 1/20 0.44
STK3 Q13188 1/20 0.44
PTK6 Q13882 1/20 0.44
PIM3 Q86V86 1/20 0.44

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
SCHEMBL23479555 0.84 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BPRKD3
SCHEMBL30632276 0.80 CDK8 (0.46) ARCDK8ACVR1CLK4SMN1; SMN2
SCHEMBL13676600 0.79 RIPK2 (0.45) ARPRKD3CDK1CDK2CDK8
SCHEMBL28819002 0.79 RIPK2 (0.47) ARCDK2SMN1; SMN2ALDH1A1PARP1
SCHEMBL28259104 0.79 NR4A2 (0.56) ARCDK8ACVR1CLK4SMN1; SMN2
SCHEMBL20392593 0.79 SLC22A12 (0.52) ARFLT3CDK8ACVR1PIM3
SCHEMBL14205599 0.78 AR (0.42) ARFLT3CDK5ACVR1AURKB
SCHEMBL13676642 0.78 ACVR1 (0.47) ARCDK8ACVR1MST1RCLK4
SCHEMBL29847401 0.75 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL873431 0.75 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019227771-A1 SUBSTITUTED PYRIMIDINE-4-FORMIC ACID DERIVATIVE, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 (CN) 2019-12-05 WO disclosed
US-8507489-B2 Bicyclic triazoles as protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20090018163-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
WO-2009009633-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 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 (1 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-20090018163-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 HTR1A 177/4885ADRA1D 865/4885ADRA1A 873/4885

“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.