SCHEMBL4489043

SCHEMBL4489043

O=C1c2c(Nc3nc(Nc4ccc(N5CCNCC5)cc4)ncc3C(F)(F)F)cccc2OC[C@@H]2CCCN12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 13/20 0.54
▸ CCND1 P24385 10/20 0.54
▸ CCND2 P30279 4/20 0.54
▸ CCND3 P30281 4/20 0.54
▸ BRD4 O60885 1/20 0.50
▸ CCNA2 P20248 8/20 0.48
▸ CDK2 P24941 8/20 0.48
▸ FGFR1 P11362 7/20 0.48
▸ FGFR2 P21802 7/20 0.48
▸ FGFR4 P22455 7/20 0.48
▸ FGFR3 P22607 7/20 0.48
▸ CCNA1 P78396 2/20 0.48
▸ CCNE2 O96020 1/20 0.48
▸ CCNE1 P24864 1/20 0.48
▸ ALK Q9UM73 1/20 0.48
▸ WEE1 P30291 4/20 0.47
▸ CDK6 Q00534 3/20 0.46
▸ EGFR P00533 1/20 0.46

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
SCHEMBL4475341 0.91 BRD4 (0.51) CDK4CCND1CCND2CCND3BRD4
SCHEMBL12715314 0.89 ALK (0.66) ALKEGFR
SCHEMBL1612115 0.89 ALK (0.66) ALKEGFR
SCHEMBL4471644 0.83 BRD4 (0.54) CDK4CCND1CCND2CCND3BRD4
SCHEMBL4471638 0.83 BRD4 (0.54) CDK4CCND1CCND2CCND3BRD4
SCHEMBL4484128 0.81 BRD4 (0.52) CDK4CCND1CCND2CCND3BRD4
SCHEMBL4484133 0.81 BRD4 (0.52) CDK4CCND1CCND2CCND3BRD4
SCHEMBL12715318 0.81 ALK (0.61) ALKEGFR
SCHEMBL4467075 0.80 BRD4 (0.51) CDK4CCND1CCND2CCND3BRD4
SCHEMBL4467081 0.80 BRD4 (0.51) CDK4CCND1CCND2CCND3BRD4

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
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 disclosed
US-7569561-B2 2,4-diaminopyrimidines useful for treating cell proliferation diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-04 — — US disclosed
US-7569561-B2 2,4-diaminopyrimidines useful for treating cell proliferation diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-04 — — US disclosed
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
US-20070207999-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-06 — — 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 CDK4 90/4885CCND1 7/4885CCND2 18/4885

“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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