SCHEMBL3979102

SCHEMBL3979102

Clc1ccc(Oc2ncnc3ccccc23)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.60
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
KDR P35968 4/20 0.46
RAF1 P04049 1/20 0.44
PDGFRB P09619 1/20 0.44
KIT P10721 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL3979754 0.79 EGFR (0.69) EGFRRAB9ANPC1TSHRL3MBTL1
SCHEMBL3635988 0.78 EGFR (0.62) EGFRRAB9ANPC1TSHRL3MBTL1
SCHEMBL4783856 0.78 EGFR (0.45) EGFRKDRRAF1PDGFRBKIT
SCHEMBL3976229 0.78 EGFR (0.59) EGFRRAB9ANPC1TSHRL3MBTL1
SCHEMBL30117812 0.77 EGFR (0.58) EGFRRAB9ANPC1TSHRL3MBTL1
SCHEMBL8200916 0.76 EGFR (0.57) EGFRRAB9ANPC1TSHRL3MBTL1
SCHEMBL3977060 0.76 EGFR (0.57) EGFRRAB9ANPC1TSHRL3MBTL1
SCHEMBL3106181 0.76 EGFR (0.57) EGFRRAB9ANPC1TSHRL3MBTL1
SCHEMBL6506857 0.76 KDR (0.66) EGFRKDRPDGFRBFLT4TRPA1
Hydrochloric Acid SCHEMBL4731344 0.75 EGFR (0.56) EGFRRAB9ANPC1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107541-A1 COMPOUNDS FOR TREATING PATIENTS WITH ROS1 MUTANT CANCER CELLS Ignyta, Inc. (US) 2016-12-28 EP disclosed
WO-2015124697-A1 COMPOUNDS FOR TREATING PATIENTS WITH ROS1 MUTANT CANCER CELLS IGNYTA, INC. (US) 2015-08-27 WO disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
EP-2120932-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Nerviano Medical Sciences S.r.l. (IT) 2009-11-25 EP disclosed
WO-2008074749-A9 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2009-05-07 WO disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 WO disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 WO disclosed
WO-2008074749-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-26 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-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AHR, MALT1, ABL1 EGFR 456/4885RAB9A 3568/4885NPC1 3538/4885

“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.