SCHEMBL12410299

SCHEMBL12410299

CCNC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.57
MAPK8 P45983 2/20 0.57
MAPK9 P45984 2/20 0.57
MAPK10 P53779 2/20 0.57
ABL1 P00519 1/20 0.57
CHEK1 O14757 1/20 0.56
NOTUM Q6P988 1/20 0.53
MAPK1 P28482 1/20 0.51
MAPK14 Q16539 1/20 0.51
MTOR P42345 1/20 0.50

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
SCHEMBL2574304 0.85 EPHX1 (0.61) CHEK1NOTUM
SCHEMBL2549205 0.83 ABL1 (0.53) PIK3CAMAPK8MAPK9MAPK10ABL1
SCHEMBL2319091 0.82 NOTUM (0.56) ABL1CHEK1NOTUMMTOR
SCHEMBL2553716 0.81 PIK3CA (0.52) PIK3CAMAPK8MAPK9MAPK10
SCHEMBL2574821 0.81 CHEK1 (0.52) PIK3CAMAPK8MAPK9MAPK10CHEK1
SCHEMBL30600956 0.81 MAPK1 (0.50) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL20525170 0.81 MAPK1 (0.47) MAPK1
SCHEMBL2555222 0.81 MAPK1 (0.50) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL2547181 0.81 MAPK1 (0.47) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL2553789 0.81 PIK3CA (0.46) PIK3CAMAPK8MAPK9MAPK10ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US 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 (2 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC PIK3CA 539/4885MAPK8 734/4885MAPK9 645/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK PIK3CA 371/4885MAPK8 220/4885MAPK9 195/4885

“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.