SCHEMBL3900330

SCHEMBL3900330

N[N+]12C=CN=CC1=C(c1ccc3ccc(-c4ccccc4)nc3c1)N=C2C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
CYP2C19 P33261 1/20 0.39
GRIN2B Q13224 3/20 0.39
TRPC3 Q13507 2/20 0.38
TRPC7 Q9HCX4 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ENPP2 Q13822 5/20 0.37
P2RY12 Q9H244 1/20 0.36
PRMT5 O14744 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

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
SCHEMBL3903709 0.90 TRPC3 (0.40) SMN1; SMN2CYP2C19GRIN2BTRPC3TRPC7
SCHEMBL3899777 0.87 SMO (0.36) PRMT5
SCHEMBL400338 0.87 SMN1; SMN2 (0.39) SMN1; SMN2CYP2C19GRIN2BTRPC3TRPC7
SCHEMBL400428 0.83 GRIN2B (0.44) SMN1; SMN2CYP2C19GRIN2BNPC1RAB9A
SCHEMBL399781 0.82 TRPC3 (0.40) SMN1; SMN2CYP2C19GRIN2BTRPC3TRPC7
SCHEMBL3899713 0.81 IGF1R (0.46) SMN1; SMN2NPC1RAB9A
SCHEMBL3908939 0.80 IGF1R (0.38)
SCHEMBL5998165 0.80 IGF1R (0.35)
SCHEMBL398836 0.78 GRIN2B (0.43) SMN1; SMN2CYP2C19GRIN2BTRPC3TRPC7
SCHEMBL437978 0.75 IGF1R (0.36) TRPC3TRPC7ENPP2P2RY12

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 SMN1; SMN2 2622/4885CYP2C19 1760/4885GRIN2B 1809/4885

“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.