Sugi Predict

Sugi Predict / Compounds / SCHEMBL3535430

SCHEMBL3535430

SCHEMBL3535430

O=C(N(c1cccc(Cl)c1)c1ncc2c(n1)CCNC2)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 7/20 0.40
▸ HTR2B P41595 6/20 0.40
▸ TACR1 P25103 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GRM5 P41594 2/20 0.34
▸ CYP3A4 P08684 2/20 0.32
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ PNMT P11086 1/20 0.32
▸ MAOB P27338 1/20 0.31
▸ LIPE Q05469 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL3527599 0.90 POLB (0.34) HTR2CHTR2BF10POLBSMN1; SMN2
SCHEMBL3534185 0.79 HTR2C (0.38) HTR2CHTR2BPOLBSMN1; SMN2
SCHEMBL3532134 0.74 HTR2C (0.37) HTR2CHTR2BPOLBSMN1; SMN2
Trifluoroacetic Acid SCHEMBL3535426 0.71 CYP1A2 (0.53) HTR2CHTR2BPOLBGRM5CYP3A4
Trifluoroacetic Acid SCHEMBL18550341 0.69 HTR2C (0.41) HTR2CHTR2BPOLBSMN1; SMN2CYP3A4
SCHEMBL21657104 0.66 HTR2C (0.48) HTR2CHTR2BPOLBSMN1; SMN2CYP3A4
Trifluoroacetic Acid SCHEMBL19664864 0.66 HTR2C (0.62) HTR2CHTR2BPOLBSMN1; SMN2CYP3A4
SCHEMBL9958935 0.66 GRM5 (0.70) HTR2CHTR2BGRM5MAOB
Trifluoroacetic Acid SCHEMBL17893733 0.65 HTR2C (0.45) HTR2CPOLBSMN1; SMN2NTRK1
Trifluoroacetic Acid SCHEMBL3527597 0.64 CYP1A2 (0.40) HTR2CPOLBCYP3A4CYP2C19NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662828-B2 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2010-02-16 — — US disclosed
US-20090176811-A1 Substituted 5,6,7,8-Tetrahydro-pyrido[4,3-d]pyrimidine-2-yl Compounds and 5,6,7,8-Tetrahydro-quinazoline-2-yl Compounds GRUENENTHAL GMBH (DE) 2009-07-09 — — US disclosed
US-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2007-10-25 — — 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 (2 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-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds P2RX7, CYP2C8, P2RX5 HTR2C 29/4885HTR2B 239/4885TACR1 1612/4885
US-20090176811-A1 Substituted 5,6,7,8-Tetrahydro-pyrido[4,3-d]pyrimidine-2-yl Compounds and 5,6,7,8-Tetrahydro-quinazoline-2-yl Compounds P2RX7, P2RX5, DPYD HTR2C 33/4885HTR2B 192/4885TACR1 1596/4885

“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.