SCHEMBL4475569

SCHEMBL4475569

CCC(N)COc1cccc(N)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
SCN4A P35499 2/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PPARA Q07869 1/20 0.35
GPR35 Q9HC97 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FOLH1 Q04609 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL4475571 1.00 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL4475575 1.00 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL6469761 0.82 ALDH1A1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL10795237 0.79 CYP1A2 (0.49) CA12CA1CA2CA7CA9
SCHEMBL6467474 0.78 CYP1A2 (0.60) CA12CA1CA2CA7CA9
SCHEMBL621331 0.76 TP53 (0.40) SCN4ALMNACYP1A2SMN1; SMN2GPR35
SCHEMBL28073770 0.76 TP53 (0.40) SCN4ALMNACYP1A2SMN1; SMN2GPR35
SCHEMBL7781072 0.75 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL14454247 0.75 AAK1 (0.39) SCN4ANFKB1NFKB2RELALMNA
SCHEMBL4477152 0.74 MCHR1 (0.40) CA12CA1CA2CA7CA9

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 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 CA12 3528/4885CA1 4137/4885CA2 4158/4885

“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.