SCHEMBL3979882

SCHEMBL3979882

O=c1[nH]cnc2scc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.70
NPC1 O15118 3/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
PKM P14618 2/20 0.56
GAA P10253 1/20 0.55
KMT2A Q03164 2/20 0.55
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
CHEK1 O14757 1/20 0.49
LMNA P02545 2/20 0.48
PDPK1 O15530 1/20 0.43
ALOX12 P18054 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL2368706 0.82 RAB9A (0.97) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL3980106 0.77 KDR (0.66) KMT2APDPK1KDM4E
SCHEMBL3977050 0.77 SMN1; SMN2 (0.55) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL2369558 0.73 GAA (0.73) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL2368426 0.72 RAB9A (1.00) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL2368692 0.72 RAB9A (0.76) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL2368460 0.72 RAB9A (0.76) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL2369146 0.72 GAA (1.00) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL3977000 0.70 KDR (0.55)
SCHEMBL2369310 0.70 RAB9A (0.61) RAB9ANPC1SMN1; SMN2PKMGAA

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 7 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
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 RAB9A 3246/4885NPC1 4547/4885SMN1; SMN2 1973/4885

“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.