SCHEMBL3356613

SCHEMBL3356613

N#Cc1cnc(N)nc1Cl

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
KHK P50053 1/20 0.47
CHUK O15111 1/20 0.46
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PIN1 Q13526 1/20 0.37
TP53 P04637 1/20 0.36
ABL1 P00519 1/20 0.35
KDR P35968 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35

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
SCHEMBL15550246 0.79 CSNK1A1 (0.37) CSNK1A1CLK4ADORA2AADORA1P2RX3
SCHEMBL29724139 0.78 CSNK1A1 (0.64) CSNK1A1CLK4ADORA2AADORA1KHK
SCHEMBL263835 0.78 CSNK1A1 (0.64) CSNK1A1CLK4ADORA2AADORA1ALDH1A1
SCHEMBL9043 0.78 CSNK1A1 (0.64) CSNK1A1CLK4ADORA2AADORA1KHK
SCHEMBL14757551 0.75 ADORA2A (0.51) CSNK1A1CLK4ADORA2AADORA1KHK
SCHEMBL1579901 0.75 ADORA2A (0.51) CSNK1A1CLK4ADORA2AADORA1ALDH1A1
SCHEMBL12765591 0.75 CSNK1A1 (0.46) CSNK1A1CLK4ADORA2AADORA1KHK
SCHEMBL12726137 0.75 CSNK1A1 (0.46) CSNK1A1CLK4ADORA2AADORA1KHK
SCHEMBL3554942 0.72 CSNK1A1 (0.40) CSNK1A1CLK4KHKALDH1A1SMN1; SMN2
SCHEMBL4064979 0.71 ADORA2A (0.55) CSNK1A1CLK4ADORA2AADORA1ALDH1A1

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 US claimed
US-20160024051-A1 SALTS AND SOLID FORMS OF ISOQUINOLINONES AND COMPOSITION COMPRISING AND METHODS OF USING THE SAME INFINITY PHARMACEUTICALS, INC. 2016-01-28 US claimed
EP-2970194-A1 SALTS AND SOLID FORMS OF ISOQUINOLINONES AND COMPOSITION COMPRISING AND METHODS OF USING THE SAME Infinity Pharmaceuticals, Inc. (US) 2016-01-20 EP claimed
WO-2014151386-A1 SALTS AND SOLID FORMS OF ISOQUINOLINONES AND COMPOSITION COMPRISING AND METHODS OF USING THE SAME INFINITY PHARMACEUTICALS, INC. (US) 2014-09-25 WO claimed
US-20260138974-A1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS LEUKOS BIOTECH S L (ES) 2026-05-21 US disclosed
US-12540133-B2 Potent and selective compounds as serotonin 1B receptor modulators LEUKOS BIOTECH, S.L. (ES) 2026-02-03 US disclosed
EP-4445901-A2 NEW POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS Leukos Biotech, S.L. (ES) 2024-10-16 EP disclosed
EP-4225753-B1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS LEUKOS BIOTECH S L (ES) 2024-07-31 EP disclosed
US-20240166639-A1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS LEUKOS BIOTECH, S.L. (ES) 2024-05-23 US disclosed
US-20240101576-A1 HETEROCYCLIC INHIBITORS OF EGFR AND/OR HER2, FOR USE IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2024-03-28 US disclosed
CN-116981667-A Heterocyclic inhibitors of EGFR and/or HER2 for cancer treatment 蝎子疗法股份有限公司 2023-10-31 CN disclosed
CN-116635390-A Potent and selective compounds as serotonin 1B receptor modulators 莱科斯生物技术公司 2023-08-22 CN disclosed
WO-2012146666-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2012-11-01 WO disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
WO-2012083122-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-06-21 WO disclosed
WO-2010042337-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-04-15 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 (7 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-20260138974-A1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS HTR3B, HTR1B, HTR1A CSNK1A1 1540/4885CLK4 3848/4885ADORA2A 118/4885
US-12540133-B2 Potent and selective compounds as serotonin 1B receptor modulators HTR3B, HTR1A, HTR1B CSNK1A1 1502/4885CLK4 4302/4885ADORA2A 101/4885
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, AKT3 CSNK1A1 113/4885CLK4 1786/4885ADORA2A 2497/4885
US-20240166639-A1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS HTR1B, HTR1A, HTR3B CSNK1A1 3118/4885CLK4 4855/4885ADORA2A 64/4885
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 CSNK1A1 255/4885CLK4 816/4885ADORA2A 1341/4885
US-20240101576-A1 HETEROCYCLIC INHIBITORS OF EGFR AND/OR HER2, FOR USE IN THE TREATMENT OF CANCER ERBB2, EGFR, ERBB3 CSNK1A1 348/4885CLK4 481/4885ADORA2A 1298/4885
US-20160024051-A1 SALTS AND SOLID FORMS OF ISOQUINOLINONES AND COMPOSITION COMPRISING AND METHODS OF USING THE SAME PIK3CA, PIK3CD, JAK2 CSNK1A1 45/4885CLK4 280/4885ADORA2A 2831/4885

“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.