SCHEMBL4484334

SCHEMBL4484334

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.46
▸ ALK Q9UM73 3/20 0.46
▸ WEE1 P30291 1/20 0.46
▸ PTK2 Q05397 3/20 0.44
▸ BRD4 O60885 3/20 0.43
▸ FGFR1 P11362 3/20 0.42
▸ ULK1 O75385 2/20 0.41
▸ CCNK O75909 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CCND3 P30281 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CDK6 Q00534 1/20 0.40
▸ PTK2B Q14289 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ BTK Q06187 1/20 0.39

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
SCHEMBL4486780 0.92 WEE1 (0.56) EGFRALKWEE1PTK2BRD4
SCHEMBL4467832 0.89 EGFR (0.53) EGFRALKPTK2BRD4CCNK
SCHEMBL4473560 0.87 PTK2 (0.47) EGFRALKWEE1PTK2BRD4
SCHEMBL4483048 0.87 EGFR (0.46) EGFRALKWEE1PTK2BRD4
SCHEMBL4483052 0.87 EGFR (0.46) EGFRALKWEE1PTK2BRD4
SCHEMBL4474011 0.86 EGFR (0.46) EGFRALKWEE1PTK2BRD4
SCHEMBL4487608 0.81 EGFR (0.43) EGFRALKWEE1PTK2BRD4
SCHEMBL4477172 0.80 EGFR (0.46) EGFRALKWEE1PTK2BRD4
SCHEMBL4477165 0.80 EGFR (0.46) EGFRALKWEE1PTK2BRD4
SCHEMBL4483961 0.78 ALK (0.55) EGFRALKWEE1PTK2BRD4

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 10 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
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 claimed
US-20070207999-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-06 — — US claimed
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 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 280/4885ALK 3068/4885WEE1 483/4885

“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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