SCHEMBL4483961

SCHEMBL4483961

CCN1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(Nc4cccc5c4C(=O)NC(C)C(=O)N5)n3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 3/20 0.55
▸ WEE1 P30291 3/20 0.55
▸ EGFR P00533 4/20 0.55
▸ PTK2 Q05397 3/20 0.48
▸ CCNK O75909 1/20 0.48
▸ CCNA2 P20248 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ CCND3 P30281 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ CDK6 Q00534 1/20 0.48
▸ BRD4 O60885 2/20 0.44
▸ NTRK1 P04629 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ ULK1 O75385 2/20 0.43
▸ CTSC P53634 1/20 0.42
▸ PTK2B Q14289 1/20 0.42

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
SCHEMBL4483955 1.00 ALK (0.55) ALKWEE1EGFRPTK2CCNK
SCHEMBL4485141 0.92 EGFR (0.53) ALKEGFRPTK2CCNKCCNA2
SCHEMBL4485146 0.92 EGFR (0.53) ALKEGFRPTK2CCNKCCNA2
SCHEMBL4483048 0.92 EGFR (0.46) ALKWEE1EGFRPTK2CCNK
SCHEMBL4483052 0.92 EGFR (0.46) ALKWEE1EGFRPTK2CCNK
SCHEMBL4480396 0.90 PTK2 (0.47) ALKWEE1EGFRPTK2CDK9
SCHEMBL4480403 0.90 PTK2 (0.47) ALKWEE1EGFRPTK2CDK9
SCHEMBL4486780 0.86 WEE1 (0.56) ALKWEE1EGFRPTK2CCNK
SCHEMBL4483272 0.85 WEE1 (0.52) ALKWEE1EGFRPTK2CCNK
SCHEMBL4479464 0.81 WEE1 (0.56) ALKWEE1EGFRPTK2CCNK

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 ALK 3068/4885WEE1 483/4885EGFR 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.

Send feedback