SCHEMBL14635679

SCHEMBL14635679

Cc1nccn2cncc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.51
IDO1 P14902 3/20 0.39
QPCT Q16769 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
GABRA5 P31644 1/20 0.33
CYP2E1 P05181 2/20 0.32
CYP2A6 P11509 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDO2 P48775 1/20 0.31
DYRK1A Q13627 1/20 0.31
TBXAS1 P24557 1/20 0.30
NUDT1 P36639 1/20 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
SCHEMBL12920665 0.83 SRC (0.41) SRCIDO1QPCTQPCTLCYP2E1
SCHEMBL1155489 0.75 SRC (0.44) SRCIDO1QPCTQPCTLTDO2
SCHEMBL31391522 0.75 SRC (0.44) SRCIDO1QPCTQPCTLTDO2
SCHEMBL399396 0.75 NUDT1 (0.48) SRCIDO1QPCTQPCTLTDO2
SCHEMBL1129049 0.75 SRC (0.44) SRCIDO1QPCTQPCTLTDO2
SCHEMBL1015306 0.75 SRC (0.44) SRCIDO1QPCTQPCTLL3MBTL1
SCHEMBL24198354 0.75 SRC (0.44) SRCIDO1QPCTQPCTLTBXAS1
SCHEMBL21672756 0.75 SRC (0.44) SRCIDO1QPCTQPCTL
SCHEMBL24983628 0.75 SRC (0.44) SRCIDO1QPCTQPCTLCYP3A4
Hydrochloric Acid SCHEMBL30404265 0.73 NUDT1 (0.47) SRCIDO1QPCTQPCTLTDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4448521-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS Crossfire Oncology Holding B.V. (NL) 2024-10-23 EP disclosed
WO-2023110936-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 WO disclosed
WO-2023076218-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-04 WO disclosed
WO-2022007966-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川海思科制药有限公司 2022-01-13 WO disclosed
US-20210238182-A1 IMIDAZOPYRAZINONES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2021-08-05 US disclosed
US-10912773-B2 Combinations comprising substituted imidazo[1,5-a]pyrazinones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2021-02-09 US disclosed
US-10905688-B2 Combinations comprising substituted imidazo[1,5-α]pyrazinones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2021-02-02 US disclosed
US-10858362-B2 Imidazopyrazinones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2020-12-08 US disclosed
US-20190282571-A1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF IMIDAZOPYRAZINONES H. LUNDBECK A/S (DK) 2019-09-19 US disclosed
US-20190282572-A1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF IMIDAZOPYRAZINONES H. LUNDBECKA/S (DK) 2019-09-19 US disclosed
US-10011606-B2 Imidazopyrazinones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2018-07-03 US disclosed
US-20170291903-A1 Imidazopyrazinones as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2017-10-12 US disclosed
US-20160318939-A1 Imidazopyrazinones as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2016-11-03 US disclosed
US-20140155406-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-06-05 US disclosed
EP-2734523-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES BTK-INHIBITORS Merck Sharp & Dohme B.V. (NL) 2014-05-28 EP disclosed
WO-2013010869-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES BTK-INHIBITORS MSD OSS B.V. (NL) 2013-01-24 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 (10 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-20190282571-A1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF IMIDAZOPYRAZINONES PDE12, PDE1B, PDE1A SRC 4214/4885IDO1 69/4885QPCT 1314/4885
US-20160318939-A1 Imidazopyrazinones as PDE1 Inhibitors PDE12, PDE4A, PDE5A SRC 3802/4885IDO1 116/4885QPCT 2688/4885
US-10858362-B2 Imidazopyrazinones as PDE1 inhibitors PDE12, PDE4A, PDE5A SRC 3802/4885IDO1 116/4885QPCT 2688/4885
US-20140155406-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES BTK INHIBITORS BTK, ABL1, SYK SRC 20/4885IDO1 736/4885QPCT 2561/4885
US-20210238182-A1 IMIDAZOPYRAZINONES AS PDE1 INHIBITORS PDE12, PDE4A, PDE5A SRC 3802/4885IDO1 116/4885QPCT 2688/4885
US-20170291903-A1 Imidazopyrazinones as PDE1 Inhibitors PDE12, PDE4A, PDE5A SRC 3802/4885IDO1 116/4885QPCT 2688/4885
US-10011606-B2 Imidazopyrazinones as PDE1 inhibitors PDE12, PDE4A, PDE5A SRC 3802/4885IDO1 116/4885QPCT 2688/4885
US-10912773-B2 Combinations comprising substituted imidazo[1,5-a]pyrazinones as PDE1 inhibitors PDE5A, PDE3A, PDE12 SRC 4355/4885IDO1 197/4885QPCT 1023/4885
US-10905688-B2 Combinations comprising substituted imidazo[1,5-α]pyrazinones as PDE1 inhibitors PDE1A, PDE12, PDE1B SRC 4639/4885IDO1 66/4885QPCT 1988/4885
US-20190282572-A1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF IMIDAZOPYRAZINONES PDE12, PDE4A, PDE1A SRC 3962/4885IDO1 212/4885QPCT 705/4885

“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.