SCHEMBL3903709

SCHEMBL3903709

O=C(OCc1ccccc1)N1CCC(C2=NC(c3ccc4ccc(-c5ccccc5)nc4c3)=C3C=NC=C[N+]23Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 2/20 0.40
TRPC7 Q9HCX4 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GRIN2B Q13224 3/20 0.37
CYP2C19 P33261 1/20 0.37
ENPP2 Q13822 5/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
P2RY12 Q9H244 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
USP30 Q70CQ3 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL3900330 0.90 SMN1; SMN2 (0.39) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL399781 0.88 TRPC3 (0.40) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL398836 0.83 GRIN2B (0.43) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL400338 0.81 SMN1; SMN2 (0.39) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL3909898 0.81 IGF1R (0.33)
SCHEMBL3898567 0.81 IGF1R (0.33)
SCHEMBL3901266 0.80 IGF1R (0.36) KDM4EALDH1A1HPGD
SCHEMBL437978 0.80 IGF1R (0.36) TRPC3TRPC7ENPP2P2RY12
SCHEMBL400428 0.77 GRIN2B (0.44) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL3902739 0.77 IGF1R (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors ACERTA PHARMA B.V. (NL) 2006-10-19 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-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 TRPC3 2466/4885TRPC7 2437/4885SMN1; SMN2 2622/4885

“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.