SCHEMBL3706319

SCHEMBL3706319

Cc1cccc(NC(=O)Nc2cccc3c2CCN3Cc2c[nH]c3ncccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
HTR1A P08908 2/20 0.40
HTR2A P28223 2/20 0.40
HTR7 P34969 2/20 0.40
HTR6 P50406 1/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
RET P07949 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
GAA P10253 1/20 0.39
KDR P35968 4/20 0.39
PDGFRB P09619 3/20 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
SCHEMBL15053147 0.92 KMT2A (0.40) RIPK1KMT2AMEN1MAPTALDH1A1
SCHEMBL15053542 0.92 KMT2A (0.40) RIPK1KMT2AMEN1MAPTALDH1A1
SCHEMBL3697641 0.92 BRAF (0.47) SMN1; SMN2HCRTR1HCRTR2HTR1AHTR2A
SCHEMBL3703082 0.91 DRD4 (0.45) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL3705109 0.90 FGFR1 (0.46) RIPK1KMT2AMEN1MAPTALDH1A1
SCHEMBL3709379 0.90 HTR1A (0.43) RIPK1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL3701249 0.90 STING1 (0.46) HCRTR1HCRTR2HTR1AHTR2AHTR7
SCHEMBL3713909 0.90 KMT2A (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2HTR1A
SCHEMBL3697432 0.89 HTR1A (0.44) MAPTSMN1; SMN2HCRTR1HCRTR2HTR1A
SCHEMBL3709205 0.88 BRAF (0.41) GAAKDRPDGFRBPTGER3BRAF

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 RIPK1 3075/4885KMT2A 1244/4885MEN1 1556/4885

“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.