SCHEMBL1243636

SCHEMBL1243636

Nc1ccc(C(=O)Nc2ccccc2Nc2cc(-c3ccccc3Oc3ccccc3)ncn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 6/20 0.46
CCNT1 O60563 3/20 0.44
ADORA3 P0DMS8 1/20 0.44
GAA P10253 1/20 0.43
CACNA1H O95180 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CACNA1B Q00975 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
CAMKK2 Q96RR4 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL1243687 0.89 CDK9 (0.51) CDK9CCNT1ADORA3LMNACYP1A2
SCHEMBL1244349 0.88 CDK9 (0.60) CDK9CCNT1ADORA3GAALMNA
SCHEMBL4108286 0.84 ADORA3 (0.53) CDK9CCNT1ADORA3GAASMN1; SMN2
SCHEMBL1243609 0.77 CDK9 (0.65) CDK9CCNT1LMNACYP1A2CYP2C19
SCHEMBL1243712 0.76 CDK9 (0.56) CDK9CCNT1SMN1; SMN2LMNACYP1A2
SCHEMBL4103963 0.75 EGFR (0.54) CDK9CCNT1SMN1; SMN2LMNACYP1A2
SCHEMBL4105937 0.75 CDK9 (0.53) CDK9CCNT1LMNACYP1A2CYP2C19
SCHEMBL4114830 0.74 CDK9 (0.49) CDK9CCNT1LMNACYP1A2CYP2C19
SCHEMBL2015381 0.72 MAPT (0.56) GAACACNA1HSMN1; SMN2LMNAL3MBTL1
SCHEMBL4109070 0.72 PIP4K2C (0.50) CDK9CCNT1LMNACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879853-B2 tyrosisne kinase inhibitors such as N-[4-(6-Dibenzofuran-4-yl-pyrimidin-4-ylamino)-phenyl]-4-morpholin-4-yl-benzamide, used as anticasrcinogenic or antoproliferative agents, especially in the treatment of breast cancer BAYER SCHERING PHARMA AG (DE) 2011-02-01 US disclosed
US-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors ATLANTA PHARMA AG (DE) 2007-09-06 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 (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-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors CDK2, DCK, DTYMK CDK9 39/4885CCNT1 343/4885ADORA3 1415/4885

“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.