SCHEMBL16478722

SCHEMBL16478722

CCc1ccc(C#N)nn1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.35
▸ EGLN2 Q96KS0 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KCNK13 Q9HB14 1/20 0.32
▸ NQO1 P15559 1/20 0.31
▸ PANK3 Q9H999 3/20 0.30

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
SCHEMBL16832891 0.78 EGLN2 (0.33) EGLN2KCNK13
SCHEMBL3294798 0.78 EGLN2 (0.41) CYP2A6EGLN2NQO1PANK3
SCHEMBL45848 0.78 TP53 (0.33) —
SCHEMBL30942641 0.75 TKT (0.33) EGLN2KCNK13
SCHEMBL24141637 0.74 — —
SCHEMBL30942638 0.74 EGLN2 (0.30) EGLN2KCNK13
SCHEMBL9855728 0.70 APP (0.46) —
SCHEMBL9855211 0.70 ACACB (0.44) NQO1
SCHEMBL3906820 0.70 — —
SCHEMBL20122654 0.68 AR (0.30) —

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
US-11834430-B2 Compounds useful as inhibitors of isoprenylcysteine carboxyl methyltransferase AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-12-05 — — US disclosed
US-20210130317-A1 Compounds Useful as Inhibitors of Isoprenylcysteine Carboxyl Methyltransferase AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-05-06 — — US disclosed
EP-3402781-B1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 — — EP disclosed
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2019-10-03 — — US disclosed
WO-2017044434-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-03-16 — — WO disclosed
EP-2686321-B1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL MYERS SQUIBB CO (US) 2016-11-16 — — EP disclosed
US-8987268-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 — — US disclosed
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 — — US 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 (4 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-20210130317-A1 Compounds Useful as Inhibitors of Isoprenylcysteine Carboxyl Methyltransferase ICMT, INMT, BHMT CYP2A6 1209/4885EGLN2 3934/4885KDM4E 2117/4885
US-11834430-B2 Compounds useful as inhibitors of isoprenylcysteine carboxyl methyltransferase ICMT, INMT, BHMT CYP2A6 1209/4885EGLN2 3934/4885KDM4E 2117/4885
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 CYP2A6 1724/4885EGLN2 1712/4885KDM4E 1141/4885
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 CYP2A6 3164/4885EGLN2 3260/4885KDM4E 2299/4885

“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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