SCHEMBL3709367

SCHEMBL3709367

O=C(Nc1ccc(Cl)cc1)Nc1cccc2c1ccn2Cc1ccnc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
KDR P35968 2/20 0.41
FLT1 P17948 1/20 0.41
BRAF P15056 3/20 0.41
AURKA O14965 6/20 0.40
AURKB Q96GD4 6/20 0.40
TRPV1 Q8NER1 1/20 0.39
CNR1 P21554 1/20 0.39
BTK Q06187 1/20 0.39
MET P08581 3/20 0.39
STING1 Q86WV6 1/20 0.39

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
Hydrochloric Acid SCHEMBL1456613 0.99 MAPT (0.42) MAPTNPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL3707012 0.92 AURKA (0.45) MAPTSMN1; SMN2JAK2JAK1TYK2
SCHEMBL15053686 0.91 MAPT (0.41) MAPTNPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL3702027 0.91 BRAF (0.49) MAPTNPC1ALDH1A1LMNAHTT
SCHEMBL3707972 0.91 KDR (0.41) MAPTNPC1LMNAHTTRAB9A
SCHEMBL3709847 0.91 PTGER3 (0.43) NPC1ALDH1A1SMN1; SMN2RAB9AKDR
SCHEMBL3703541 0.91 RAB9A (0.41) MAPTNPC1ALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL3701149 0.91 AURKA (0.45) MAPTSMN1; SMN2JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL3699312 0.90 BRAF (0.48) MAPTNPC1ALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL3698924 0.90 RAB9A (0.41) MAPTNPC1ALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US claimed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US claimed
CN-102066372-A 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors ASCEPION PHARMACEUTICALS INC 2011-05-18 CN claimed
CN-102066372-B 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors ASCEPION PHARMACEUTICALS INC 2014-09-17 CN disclosed
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US disclosed
CN-102066372-A 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors ASCEPION PHARMACEUTICALS INC 2011-05-18 CN 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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 MAPT 2492/4885NPC1 1998/4885ALDH1A1 1084/4885

“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.