SCHEMBL3715031

SCHEMBL3715031

Nc1ncnc2[nH]nc(-c3ccc(Cl)cc3)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.57
ABL1 P00519 4/20 0.57
FYN P06241 3/20 0.48
KDR P35968 3/20 0.48
CYP1A2 P05177 2/20 0.48
LCK P06239 2/20 0.48
LYN P07948 2/20 0.48
BLK P51451 2/20 0.48
EGFR P00533 2/20 0.48
DAPK3 O43293 1/20 0.48
RIPK2 O43353 1/20 0.48
YES1 P07947 1/20 0.48
HCK P08631 1/20 0.48
PDGFRB P09619 1/20 0.48
FGR P09769 1/20 0.48
CYP2C9 P11712 1/20 0.48
PDGFRA P16234 1/20 0.48
PRKACA P17612 1/20 0.48
EPHB2 P29323 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL30387175 0.87 PIK3CD (0.55) SRCABL1KDREGFRHCK
SCHEMBL8318622 0.85 SRC (0.44) SRCABL1FYNKDRCYP1A2
SCHEMBL11325 0.84 PIK3CG (0.49) SRCABL1KDREGFRHCK
SCHEMBL3782102 0.84 PIK3CD (0.57) SRCABL1FYNKDRCYP1A2
SCHEMBL15613778 0.84 PIK3CD (0.42) SRCABL1KDRCYP1A2LCK
SCHEMBL5065122 0.84 PIK3CD (0.57) SRCABL1KDRLCKEGFR
SCHEMBL408618 0.83 PIK3CD (0.55) SRCABL1KDRLCKEGFR
SCHEMBL23917208 0.80 MAP2K4 (0.48) SRCABL1FYNKDRLYN
SCHEMBL5088174 0.80 PIK3CD (0.60) SRCABL1FYNKDRCYP1A2
SCHEMBL12123445 0.80 PIK3CD (0.39) SRCABL1FYNKDRLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844038-B2 1,2-dithiolane compounds useful in neuroprotection, autoimmune and cancer diseases and conditions SABILA BIOSCIENCES LLC (US) 2020-11-24 US disclosed
US-10844038-B2 1,2-dithiolane compounds useful in neuroprotection, autoimmune and cancer diseases and conditions SABILA BIOSCIENCES LLC (US) 2020-11-24 US disclosed
US-9580427-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-28 US disclosed
US-9580427-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-28 US disclosed
US-9580427-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-28 US disclosed
US-20140323464-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-30 US disclosed
US-20140323464-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-30 US disclosed
US-20140323464-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-30 US disclosed
EP-2710007-A2 KINASE INHIBITORS The Regents of the University of California (US) 2014-03-26 EP disclosed
WO-2012158843-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-22 WO disclosed
WO-2012158843-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-22 WO disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
EP-2217239-A2 MODULATION OF PROTEIN TRAFFICKING Foldrx Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 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 (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-20140323464-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 SRC 87/4885ABL1 23/4885FYN 404/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B SRC 1332/4885ABL1 1725/4885FYN 950/4885
US-10844038-B2 1,2-dithiolane compounds useful in neuroprotection, autoimmune and cancer diseases and conditions BTK, FYN, YES1 SRC 13/4885ABL1 296/4885FYN 2/4885

“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.