SCHEMBL1243593

SCHEMBL1243593

Nc1ccc(C(=O)Nc2ccc(Nc3cc(-c4cccnc4)ncn3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.58
BCR P11274 3/20 0.58
ABL2 P42684 1/20 0.58
HDAC1 Q13547 4/20 0.56
POLB P06746 3/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 2/20 0.53
CCNT1 O60563 2/20 0.51
CDK9 P50750 2/20 0.51
ATR Q13535 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
AURKA O14965 1/20 0.48
PDGFRB P09619 3/20 0.48
KDR P35968 2/20 0.48
PDGFRA P16234 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL1242053 0.89 ADORA3 (0.57) ABL1BCRPOLBMAPTLMNA
SCHEMBL4097416 0.88 POLB (0.63) ABL1BCRPOLBMAPTLMNA
SCHEMBL4114071 0.87 CCNT1 (0.67) ABL1BCRPOLBMAPTLMNA
SCHEMBL1244521 0.87 CYP1A2 (0.57) ABL1BCRPOLBMAPTLMNA
SCHEMBL1242251 0.85 PIP4K2A (0.61) ABL1BCRPOLBMAPTCCNT1
SCHEMBL4114258 0.84 ABL1 (0.51) ABL1BCRPOLBMAPTLMNA
SCHEMBL1244551 0.82 CCNT1 (0.50) ABL1BCRPOLBMAPTLMNA
SCHEMBL1244468 0.81 POLB (0.47) ABL1BCRHDAC1POLBMAPT
SCHEMBL18340684 0.81 ABL1 (0.56) ABL1BCRABL2HDAC1POLB
SCHEMBL5752060 0.81 CCNT1 (0.67) ABL1BCRMAPTCCNT1CDK9

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 5 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
EP-1763526-B1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2009-06-24 EP disclosed
US-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors ATLANTA PHARMA AG (DE) 2007-09-06 US disclosed
EP-1763526-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS Altana Pharma AG (DE) 2007-03-21 EP disclosed
WO-2006000589-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS ALTANA PHARMA AG (DE) 2006-01-05 WO 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 ABL1 55/4885BCR 844/4885ABL2 482/4885

“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.