SCHEMBL4467832

SCHEMBL4467832

CN1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(Nc4cccc5c4C(=O)NC(C)(C)C(=O)N5)n3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.53
▸ BRD4 O60885 3/20 0.53
▸ CTSC P53634 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ BTK Q06187 1/20 0.47
▸ CCNK O75909 1/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ CCND3 P30281 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CDK6 Q00534 1/20 0.47
▸ PTK2 Q05397 4/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ CCND1 P24385 1/20 0.46
▸ ALK Q9UM73 3/20 0.45
▸ TNK2 Q07912 1/20 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
SCHEMBL4473560 0.92 PTK2 (0.47) EGFRBRD4CDK9PTK2CDK4
SCHEMBL4486780 0.92 WEE1 (0.56) EGFRBRD4CTSCCCNKCCNA2
SCHEMBL4484334 0.89 EGFR (0.46) EGFRBRD4FLT3BTKCCNK
SCHEMBL4485146 0.86 EGFR (0.53) EGFRBRD4CTSCFLT3BTK
SCHEMBL4485141 0.86 EGFR (0.53) EGFRBRD4CTSCFLT3BTK
SCHEMBL4481653 0.85 EGFR (0.53) EGFRBRD4CTSCFLT3BTK
SCHEMBL4487639 0.80 EGFR (0.50) EGFRBRD4CTSCFLT3BTK
SCHEMBL4477270 0.78 EGFR (0.53) EGFRBRD4CTSCFLT3BTK
SCHEMBL4477278 0.78 EGFR (0.53) EGFRBRD4CTSCFLT3BTK
SCHEMBL4480396 0.78 PTK2 (0.47) EGFRBRD4CDK9PTK2CDK4

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 8 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
EP-1989198-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES FOR THE TREATMENT AND/OR PREVENTION OF CANCER, INFECTIONS, INFLAMMATORY AND AUTOIMMUNE DISORDERS Boehringer Ingelheim International GmbH (DE) 2008-11-12 — — EP disclosed
US-20070207999-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-06 — — US disclosed
WO-2007096351-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES FOR THE TREATMENT AND/OR PREVENTION OF CANCER, INFECTIONS, INFLAMMATORY AND AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-30 — — 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-20070207999-A1 New Compounds CCNA1, MKI67, CCNT1 EGFR 280/4885BRD4 1667/4885CTSC 3083/4885

“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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