SCHEMBL986400

SCHEMBL986400

Nc1cnc2[nH]cnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.44
KDM4E B2RXH2 5/20 0.42
MAPT P10636 3/20 0.42
RAD52 P43351 1/20 0.42
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PARP1 P09874 1/20 0.39
BTK Q06187 1/20 0.35
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
RPS6KA3 P51812 1/20 0.32
CSNK2A1 P68400 1/20 0.32

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
SCHEMBL30770814 1.00 PRKCI (0.44) PRKCIKDM4EMAPTRAD52ALDH1A1
Hydrochloric Acid SCHEMBL1365384 0.98 KDM4E (0.46) PRKCIKDM4EMAPTRAD52ALDH1A1
SCHEMBL17597488 0.74 ALDH1A1 (0.43) PRKCIKDM4EMAPTRAD52ALDH1A1
SCHEMBL190623 0.74 DYRK1A (0.46) KDM4EMAPTALDH1A1TDP1APEX1
SCHEMBL14858747 0.74 PARP1 (0.39) PRKCIKDM4EMAPTALDH1A1TDP1
SCHEMBL23731797 0.74 KDM4E (0.33) PRKCIKDM4EMAPTRAD52ALDH1A1
SCHEMBL14858833 0.74 PARP1 (0.39) PRKCIKDM4EMAPTRAD52ALDH1A1
SCHEMBL1104637 0.74 PARP1 (0.43) KDM4EMAPTALDH1A1TDP1APEX1
SCHEMBL7214960 0.74 CDK8 (0.36) PRKCIKDM4EMAPTRAD52ALDH1A1
SCHEMBL20791895 0.72 MAP3K11 (0.51) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2024-04-16 US disclosed
EP-2265609-B1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-05 EP disclosed
US-8067599-B2 Imidazo [4,5-B] pyridine and pyrrolo [2,3-B] pyridine protein kinase inhibitors HOFFMAN-LA ROCHE INC. (US) 2011-11-29 US disclosed
US-8067599-B2 Imidazo [4,5-B] pyridine and pyrrolo [2,3-B] pyridine protein kinase inhibitors HOFFMAN-LA ROCHE INC. (US) 2011-11-29 US disclosed
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. 2011-01-06 US disclosed
EP-2265609-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111277-A9 IMIDAZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-12-30 WO disclosed
US-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
US-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
WO-2009111277-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
WO-2008028617-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 WO disclosed
EP-0640084-A4 6-AMINO SUBSTITUTED IMIDAZO 4,5-b]PYRIDINES AS ANGIOTENSIN II ANTAGONISTS. MERCK & CO INC (US) 1995-08-23 EP disclosed
EP-0640084-A1 6-AMINO SUBSTITUTED IMIDAZO 4,5-b]PYRIDINES AS ANGIOTENSIN II ANTAGONISTS MERCK & CO. INC. (US) 1995-03-01 EP disclosed
WO-1993023399-A1 6-AMINO SUBSTITUTED IMIDAZO[4,5-b]PYRIDINES AS ANGIOTENSIN II ANTAGONISTS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
US-5223499-A Hypotensive agents MERCK & CO., INC. (US) 1993-06-29 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 (3 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-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases GMPS, GLS, QPCT PRKCI 333/4885KDM4E 2092/4885MAPT 4117/4885
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS BRAF, RAF1, ARAF PRKCI 144/4885KDM4E 2145/4885MAPT 4751/4885
US-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K5, MAP3K1, PRKACA PRKCI 30/4885KDM4E 2037/4885MAPT 3427/4885

“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.