SCHEMBL3703390

SCHEMBL3703390

O=C(Nc1ccc(Br)cc1)Nc1cccc2c1ccn2Cc1c[nH]c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
STING1 Q86WV6 1/20 0.43
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GOT1 P17174 1/20 0.39
BRAF P15056 3/20 0.39
FPR2 P25090 4/20 0.38
GPR84 Q9NQS5 1/20 0.38
MTNR1A P48039 1/20 0.38
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37

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 SCHEMBL3700921 0.99 DRD2 (0.45) DRD2DRD4DRD3STING1FLT1
SCHEMBL3705574 0.92 MAPT (0.44) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL15052925 0.91 STING1 (0.41) DRD2DRD4DRD3STING1KMT2A
SCHEMBL3706989 0.91 PTGER3 (0.47) DRD2DRD4DRD3STING1FLT1
SCHEMBL3702305 0.91 BRAF (0.49) STING1BRAFGPR84MTNR1ANPC1
SCHEMBL3715559 0.91 RAB9A (0.47) DRD2DRD4DRD3STING1FLT1
SCHEMBL3705879 0.91 RAB9A (0.46) STING1KMT2AMEN1BRAFGPR84
Hydrochloric Acid SCHEMBL3706342 0.91 MAPT (0.43) DRD2DRD4DRD3KMT2AMEN1
Hydrochloric Acid SCHEMBL3700278 0.90 PTGER3 (0.46) DRD2DRD4DRD3STING1FLT1
Hydrochloric Acid SCHEMBL3697415 0.90 RAB9A (0.45) STING1KMT2AMEN1BRAFGPR84

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 DRD2 4262/4885DRD4 4748/4885DRD3 4531/4885

“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.