SCHEMBL4491903

SCHEMBL4491903

CC(C)N1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(Nc4cccc5c4C(=O)N4CCC[C@H]4C(=O)N5)n3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 3/20 0.45
▸ WEE1 P30291 3/20 0.43
▸ BRD4 O60885 3/20 0.42
▸ EGFR P00533 3/20 0.42
▸ CDK4 P11802 2/20 0.42
▸ CCND1 P24385 2/20 0.42
▸ CCNT1 O60563 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ ALK Q9UM73 4/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ ULK1 O75385 2/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ CCND2 P30279 1/20 0.40
▸ CCND3 P30281 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
SCHEMBL4487639 0.92 EGFR (0.50) PTK2BRD4EGFRCDK4CCND1
SCHEMBL4467758 0.91 EGFR (0.44) PTK2WEE1BRD4EGFRCDK4
SCHEMBL4483272 0.91 WEE1 (0.52) PTK2WEE1BRD4EGFRCDK4
SCHEMBL4487608 0.87 EGFR (0.43) PTK2WEE1BRD4EGFRCDK4
SCHEMBL4480403 0.85 PTK2 (0.47) PTK2WEE1BRD4EGFRCDK4
SCHEMBL4480396 0.85 PTK2 (0.47) PTK2WEE1BRD4EGFRCDK4
SCHEMBL4473560 0.81 PTK2 (0.47) PTK2WEE1BRD4EGFRCDK4
SCHEMBL4471877 0.77 PTK2 (0.49) PTK2WEE1BRD4EGFRALK
SCHEMBL4485141 0.77 EGFR (0.53) PTK2BRD4EGFRCDK4CCND1
SCHEMBL4485146 0.77 EGFR (0.53) PTK2BRD4EGFRCDK4CCND1

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 6 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
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-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 PTK2 1506/4885WEE1 483/4885BRD4 1667/4885

“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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