SCHEMBL3706837

SCHEMBL3706837

O=C(Nc1ccccc1F)Nc1cccc2c1ccn2Cc1ccnc2[nH]ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.42
BTK Q06187 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SYK P43405 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
BRAF P15056 3/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
CDC7 O00311 1/20 0.36

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 SCHEMBL3697364 0.99 PTGER3 (0.41) PTGER3BTKRAB9ANPC1SMN1; SMN2
SCHEMBL3699203 0.93 BRAF (0.38) PTGER3BTKSMN1; SMN2SYKJAK2
Hydrochloric Acid SCHEMBL3702800 0.92 BRAF (0.38) PTGER3BTKSMN1; SMN2SYKJAK2
SCHEMBL15053692 0.91 BTK (0.39) PTGER3BTKRAB9ANPC1SMN1; SMN2
SCHEMBL3699583 0.90 JAK2 (0.40) PTGER3JAK2JAK1TYK2MEN1
SCHEMBL3707012 0.90 AURKA (0.45) BTKSMN1; SMN2JAK2JAK1TYK2
SCHEMBL3697706 0.89 KDR (0.44) RAB9ANPC1SMN1; SMN2MAPTBRAF
SCHEMBL3714983 0.89 BRAF (0.39) PTGER3BTKSYKJAK2JAK1
SCHEMBL3705887 0.89 JAK2 (0.43) PTGER3BTKRAB9ASYKJAK2
Hydrochloric Acid SCHEMBL3703860 0.89 FGFR1 (0.39) PTGER3JAK2JAK1TYK2MEN1

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 PTGER3 2307/4885BTK 38/4885RAB9A 1033/4885

“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.