SCHEMBL7344988

SCHEMBL7344988

CC(C)(C)OC(=O)Nc1cc(CN)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.47
HDAC1 Q13547 13/20 0.42
CYP17A1 P05093 1/20 0.41
HDAC2 Q92769 10/20 0.41
HDAC3 O15379 8/20 0.41
KCNQ4 P56696 1/20 0.41
KCNQ5 Q9NR82 1/20 0.41
NR1H2 P55055 1/20 0.38

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
SCHEMBL27915724 0.89 AAK1 (0.46) AAK1HDAC1CYP17A1KCNQ4KCNQ5
SCHEMBL28046953 0.84 KCNQ4 (0.45) AAK1HDAC1CYP17A1KCNQ4KCNQ5
SCHEMBL30002232 0.84 KCNQ4 (0.45) AAK1HDAC1CYP17A1KCNQ4KCNQ5
SCHEMBL1726357 0.82 LMNA (0.51) AAK1CYP17A1KCNQ4KCNQ5
SCHEMBL3407965 0.82 HPGD (0.49) AAK1HDAC1HDAC2HDAC3
SCHEMBL29741562 0.82 HPGD (0.49) AAK1HDAC1HDAC2HDAC3
SCHEMBL2227781 0.82 AAK1 (0.48) AAK1HDAC1HDAC2HDAC3NR1H2
SCHEMBL25934416 0.82 HDAC1 (0.46) AAK1HDAC1HDAC2HDAC3KCNQ4
SCHEMBL29468015 0.82 CYP17A1 (0.49) AAK1CYP17A1KCNQ4KCNQ5
SCHEMBL12209772 0.82 KCNQ4 (0.42) AAK1HDAC1CYP17A1KCNQ4KCNQ5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105307657-A Heteroaryl compounds and uses thereof CELGENE AVILOMICS RES INC 2016-02-03 CN disclosed
CN-105188371-A Erk inhibitors and uses thereof CELGENE AVILOMICS RES INC 2015-12-23 CN disclosed
US-20010049374-A1 Urokinase inhibitors STEELE ANDREW W (US) 2001-12-06 US disclosed
US-6284796-B1 NAPHTHAMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-09-04 US disclosed
US-6258822-B1 ENZYME INHIBITORS OF NAPHTHALENE AMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-07-10 US disclosed
EP-1000018-A2 UROKINASE INHIBITORS Abbott Laboratories (US) 2000-05-17 EP disclosed
WO-1999005096-A2 UROKINASE INHIBITORS ABBOTT LABORATORIES (US) 1999-02-04 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-20010049374-A1 Urokinase inhibitors SERPINE1, PLAU, SERPINB1 AAK1 771/4885HDAC1 1182/4885CYP17A1 402/4885

“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.