SCHEMBL4471644

SCHEMBL4471644

CC1COc2cccc(Nc3nc(Nc4ccc(N5CCNCC5)cc4)ncc3C(F)(F)F)c2C(=O)N1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.54
▸ ALK Q9UM73 3/20 0.51
▸ EGFR P00533 5/20 0.49
▸ CDK4 P11802 1/20 0.48
▸ CCND1 P24385 1/20 0.48
▸ CCND2 P30279 1/20 0.48
▸ CCND3 P30281 1/20 0.48
▸ MAPK8 P45983 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ PTK2 Q05397 5/20 0.46
▸ WEE1 P30291 3/20 0.45

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
SCHEMBL4471638 1.00 BRD4 (0.54) BRD4ALKEGFRCDK4CCND1
SCHEMBL4477278 0.93 EGFR (0.53) BRD4ALKEGFRCDK4CCND1
SCHEMBL4477270 0.93 EGFR (0.53) BRD4ALKEGFRCDK4CCND1
SCHEMBL4476987 0.91 PTK2 (0.47) BRD4ALKEGFRPTK2WEE1
SCHEMBL4476996 0.91 PTK2 (0.47) BRD4ALKEGFRPTK2WEE1
SCHEMBL4484133 0.91 BRD4 (0.52) BRD4ALKEGFRCDK4CCND1
SCHEMBL4484128 0.91 BRD4 (0.52) BRD4ALKEGFRCDK4CCND1
SCHEMBL4467081 0.89 BRD4 (0.51) BRD4ALKEGFRCDK4CCND1
SCHEMBL4467075 0.89 BRD4 (0.51) BRD4ALKEGFRCDK4CCND1
SCHEMBL4477172 0.88 EGFR (0.46) BRD4ALKEGFRPTK2WEE1

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
EP-1989198-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES FOR THE TREATMENT AND/OR PREVENTION OF CANCER, INFECTIONS, INFLAMMATORY AND AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM INT (DE) 2013-10-09 — — EP claimed
US-7569561-B2 2,4-diaminopyrimidines useful for treating cell proliferation diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-04 — — US claimed
US-20070207999-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-06 — — US claimed
US-7569561-B2 2,4-diaminopyrimidines useful for treating cell proliferation diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-04 — — US disclosed
US-20070207999-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (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-20070207999-A1 New Compounds CCNA1, MKI67, CCNT1 BRD4 1667/4885ALK 3068/4885EGFR 280/4885

“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.

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