SCHEMBL15907680

SCHEMBL15907680

Cc1cnc2[nH]c(I)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.46
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 1/20 0.34
PSMD14 O00487 1/20 0.34
COPS5 Q92905 1/20 0.34
BRD4 O60885 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 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
SCHEMBL7921126 0.79 BRD4 (0.50) CCR1CCR5CCR8CYP1A2KDM4E
SCHEMBL20004561 0.76 SNCA (0.42) KIT
SCHEMBL20004649 0.76 DYRK1A (0.43) KITKDM4E
SCHEMBL15839990 0.76 KIT (0.40) KIT
SCHEMBL25785685 0.76 CCR1 (0.42) CCR1CCR5CCR8CYP1A2KDM4E
Hydrochloric Acid SCHEMBL15825545 0.74 KIT (0.39) KIT
SCHEMBL15751073 0.73 ORAI1 (0.56) KITBRD4
SCHEMBL8344499 0.73 BRD4 (0.42) CCR1CCR5CCR8BRD4
SCHEMBL13204738 0.73 BRD4 (0.55) CCR1CCR5CCR8CYP1A2KDM4E
SCHEMBL4050239 0.73 CCR1 (0.39) CCR1CCR5CCR8CYP1A2KDM4E

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-2023116884-A1 CDK2 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2023-06-29 WO disclosed
US-20170349572-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-12-07 US disclosed
US-9676748-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-06-13 US disclosed
US-20140213554-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-07-31 US 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-20140213554-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA KIT 1/4885CCR1 3904/4885CCR5 3101/4885
US-20170349572-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA KIT 1/4885CCR1 3904/4885CCR5 3101/4885

“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.