SCHEMBL3697641

SCHEMBL3697641

Cc1ccc(NC(=O)Nc2cccc3c2CCN3Cc2c[nH]c3ncccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.47
STING1 Q86WV6 1/20 0.43
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTR2A P28223 3/20 0.41
HTR7 P34969 3/20 0.41
HTR1A P08908 2/20 0.41
HTR6 P50406 2/20 0.41
DRD4 P21917 6/20 0.40
DRD2 P14416 5/20 0.40
DRD3 P35462 5/20 0.40
P2RY1 P47900 3/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
P2RY2 P41231 1/20 0.39
P2RY14 Q15391 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 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
SCHEMBL3703082 0.92 DRD4 (0.45) SMN1; SMN2HTR2AHTR7HTR1AHTR6
SCHEMBL15053823 0.92 BRAF (0.46) BRAFSTING1RAB9ANPC1SMN1; SMN2
SCHEMBL3706319 0.92 RIPK1 (0.41) BRAFSMN1; SMN2HTR2AHTR7HTR1A
SCHEMBL3708118 0.91 DRD4 (0.47) BRAFSTING1HTR2AHTR7HTR1A
SCHEMBL3699433 0.91 HTR1A (0.47) BRAFSTING1RAB9AHTR2AHTR7
SCHEMBL3709385 0.91 DRD4 (0.47) BRAFSTING1RAB9ANPC1SMN1; SMN2
SCHEMBL3704132 0.91 DRD4 (0.49) RAB9ANPC1SMN1; SMN2HTR2AHTR7
SCHEMBL3706596 0.90 HTR2A (0.44) RAB9ANPC1HTR2AHTR7HTR1A
SCHEMBL3709473 0.89 P2RY1 (0.41) BRAFSMN1; SMN2HTR2AHTR7HTR1A
SCHEMBL3705882 0.89 BRAF (0.49) BRAFSTING1HTR2AHTR7HTR1A

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 BRAF 114/4885STING1 1679/4885RAB9A 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.