SCHEMBL3979063

SCHEMBL3979063

CC(=O)c1ccc2ccc(-c3ccccc3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 2/20 0.46
TRPV1 Q8NER1 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAP4K4 O95819 2/20 0.45
FGFR1 P11362 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45

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
SCHEMBL31025344 0.87 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KDM4EHPGDNPC1
SCHEMBL4124819 0.87 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KDM4EHPGDNPC1
Hydrochloric Acid SCHEMBL400411 0.85 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KDM4EHPGDNPC1
SCHEMBL25977938 0.84 CNR1 (0.44) SMN1; SMN2ALDH1A1KDM4EHPGDTRPV1
SCHEMBL25977894 0.83 GABRG2 (0.51) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL16099428 0.82 AR (0.62) SMN1; SMN2MAPTALDH1A1KDM4EMEN1
SCHEMBL9822836 0.80 RAB9A (0.61) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
2-Phenylquinoline SCHEMBL28311274 0.80 AR (0.59) SMN1; SMN2MAPTALDH1A1KDM4EMEN1
SCHEMBL22281899 0.79 PARP1 (0.54) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL22970618 0.79 MAPT (0.49) SMN1; SMN2MAPTALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566721-B2 Substituted thienol[2,3-d]pyrimidines as kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-07-28 US disclosed
US-7566721-B2 Substituted thienol[2,3-d]pyrimidines as kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-07-28 US disclosed
US-7566721-B2 Substituted thienol[2,3-d]pyrimidines as kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-07-28 US disclosed
EP-2051982-A1 6,6-BICYCLIC RING SUBSTITUTED SULFUR CONTAINING HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2009-04-29 EP disclosed
WO-2008018881-A1 6,6-BICYCLIC RING SUBSTITUTED SULFUR CONTAINING HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
WO-2008018881-A1 6,6-BICYCLIC RING SUBSTITUTED SULFUR CONTAINING HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
US-20070032512-A1 6,6-Bicyclic ring substituted sulfur containing heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC., 2007-02-08 US disclosed
US-20070032512-A1 6,6-Bicyclic ring substituted sulfur containing heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC., 2007-02-08 US disclosed
US-20070032512-A1 6,6-Bicyclic ring substituted sulfur containing heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC., 2007-02-08 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 (1 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-20070032512-A1 6,6-Bicyclic ring substituted sulfur containing heterobicyclic protein kinase inhibitors IGF1R, BRCA1, MAP2K6 SMN1; SMN2 1973/4885MAPT 1585/4885ALDH1A1 3270/4885

“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.