SCHEMBL13897157

SCHEMBL13897157

Clc1ncccc1-c1cc(NCCN2CCOCC2)ncn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.77
ALDH1A1 P00352 5/20 0.77
CYP2C19 P33261 5/20 0.77
TSHR P16473 4/20 0.77
ALOX15 P16050 3/20 0.77
HSD17B10 Q99714 3/20 0.77
CYP3A4 P08684 7/20 0.70
CYP2D6 P10635 6/20 0.66
CLK4 Q9HAZ1 4/20 0.54
ABL1 P00519 2/20 0.49
BCR P11274 2/20 0.49
USP2 O75604 2/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 3/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C9 P11712 1/20 0.45

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
SCHEMBL3829044 0.79 CYP1A2 (0.65) CYP1A2ALDH1A1CYP2C19TSHRALOX15
SCHEMBL3829037 0.76 CYP1A2 (0.60) CYP1A2ALDH1A1CYP2C19TSHRALOX15
SCHEMBL580579 0.73 CDK4 (0.66) CYP1A2ALDH1A1CYP2C19CYP3A4CYP2D6
SCHEMBL2232185 0.72 CYP1A2 (0.58) CYP1A2ALDH1A1CYP2C19TSHRALOX15
SCHEMBL2232188 0.72 ABL1 (0.60) CYP1A2ALDH1A1CYP2C19TSHRALOX15
SCHEMBL6506385 0.72 CYP1A2 (0.57) CYP1A2ALDH1A1CYP2C19TSHRALOX15
SCHEMBL8809069 0.71 ABL1 (0.68) CYP1A2ALDH1A1CYP2C19TSHRALOX15
SCHEMBL14214761 0.70 FGFR3 (0.56) CYP1A2ALDH1A1CYP2C19HSD17B10CYP3A4
SCHEMBL1265630 0.70 CYP1A2 (0.60) CYP1A2ALDH1A1CYP2C19TSHRALOX15
SCHEMBL15190383 0.70 CYP1A2 (0.51) CYP1A2ALDH1A1CYP2C19TSHRALOX15

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-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-03-12 US disclosed
US-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-03-12 US disclosed
WO-2007092531-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-08-16 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-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS SRC, BMX, FYN CYP1A2 4285/4885ALDH1A1 4462/4885CYP2C19 4560/4885

“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.