Isonicotinonitrile

Isonicotinonitrile

SCHEMBL3242603

CC.N#Cc1ccncc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.48
CYP2A6 P11509 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.46
CYP11B2 P19099 2/20 0.43
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CYP19A1 P11511 8/20 0.40
CYP11B1 P15538 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
SLC22A12 Q96S37 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
Isonicotinonitrile SCHEMBL12264099 0.94
Isonicotinonitrile SCHEMBL2015834 0.94 HDAC8 (0.52) HDAC8CYP2A6ALDH1A1TSHRCYP11B2
Isonicotinonitrile SCHEMBL151611 0.94
Isonicotinonitrile SCHEMBL28206662 0.92 HDAC8 (0.50) HDAC8CYP2A6ALDH1A1TSHRCYP11B2
Isonicotinonitrile SCHEMBL31532552 0.92
Isonicotinonitrile SCHEMBL27920335 0.92 HDAC8 (0.50) HDAC8CYP2A6ALDH1A1TSHRCYP11B2
Isonicotinonitrile SCHEMBL17536705 0.92
Isonicotinonitrile SCHEMBL17162916 0.92
Isonicotinonitrile SCHEMBL29881309 0.92
Isonicotinonitrile SCHEMBL28280361 0.92

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
EP-1458392-B9 ACRIDONES AS INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2010-07-28 EP disclosed
EP-1458392-B1 ACRIDONES AS INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2009-09-02 EP disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
EP-1458392-A4 ACRIDONE INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2005-06-08 EP disclosed
EP-1458392-A2 ACRIDONE INHIBITORS OF IMPDH ENZYME Bristol-Myers Squibb Company (US) 2004-09-22 EP disclosed
US-20040053955-A1 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-03-18 US disclosed
WO-2003059269-A2 ACRIDONE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-24 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-20040053955-A1 Acridone inhibitors of IMPDH enzyme IMPDH2, IMPDH1, XDH HDAC8 1838/4885CYP2A6 220/4885ALDH1A1 39/4885

“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.