SCHEMBL12677181

SCHEMBL12677181

CCc1nc(-c2ccccc2)c2c(n1)C1CCN2CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 6/20 0.42
SKP1 P63208 6/20 0.42
SKP2 Q13309 6/20 0.42
DHFR P00374 2/20 0.39
SLC9A1 P19634 2/20 0.38
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 1/20 0.37
AR P10275 1/20 0.37
NPY5R Q15761 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
PRCP P42785 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL13639525 0.82 CKS1B (0.42) CKS1BSKP1SKP2DHFRSLC9A1
SCHEMBL22694441 0.80 ALDH1A1 (0.46) CKS1BSKP1SKP2SLC9A1NPSR1
SCHEMBL22722665 0.78 CKS1B (0.39) CKS1BSKP1SKP2DHFRSLC9A1
SCHEMBL12670578 0.78 CNR2 (0.40) CKS1BSKP1SKP2DHFRSLC9A1
SCHEMBL22694387 0.76 ALDH1A1 (0.40) CKS1BSKP1SKP2NPSR1HTT
SCHEMBL22694425 0.76 PDE10A (0.39) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL12127379 0.75 DHFR (0.39) DHFRSLC9A1MAPTKDM4EALDH1A1
SCHEMBL12309910 0.69 HPGD (0.45) SLC9A1HTTMAPTMEN1KMT2A
SCHEMBL1330773 0.68 SLC9A1 (0.39) DHFRSLC9A1MAPTMEN1KMT2A
SCHEMBL25592404 0.67 PTGS1 (0.50) DHFRHTTMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210078990-A1 TYROSINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-03-18 US disclosed
US-20130018051-A1 BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2013-01-17 US disclosed
US-20110105512-A1 BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-05-05 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 (3 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-20110105512-A1 BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS ERBB2, AXL, ERBB3 CKS1B 152/4885SKP1 1692/4885SKP2 482/4885
US-20210078990-A1 TYROSINE KINASE INHIBITORS TYRO3, RET, AXL CKS1B 424/4885SKP1 632/4885SKP2 1059/4885
US-20130018051-A1 BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, ERBB2, TYRO3 CKS1B 220/4885SKP1 1915/4885SKP2 348/4885

“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.