SCHEMBL17645602

SCHEMBL17645602

c1cc2ncc3c(n2n1)CCNC3

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.43
HTR2C P28335 6/20 0.41
HTR2B P41595 5/20 0.41
HTR2A P28223 4/20 0.41
KDR P35968 6/20 0.39
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDGFRB P09619 3/20 0.36
ASIC3 Q9UHC3 1/20 0.35
PNMT P11086 1/20 0.34
CD44 P16070 1/20 0.34
MAOB P27338 1/20 0.34
PKN2 Q16513 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
DGAT1 O75907 1/20 0.33

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
SCHEMBL17661774 0.85 KDR (0.41) HTR2CHTR2BHTR2AKDRPDGFRB
Hydrochloric Acid SCHEMBL17645608 0.84 KDR (0.40) HTR2CHTR2BHTR2AKDRPDGFRB
SCHEMBL3222463 0.73 HTR6 (0.41) HTR6HTR2CPOLBSMN1; SMN2ASIC3
SCHEMBL25273694 0.72 KDR (0.41) HTR2CHTR2BHTR2AKDRPDGFRB
SCHEMBL17645631 0.72 HTR6 (0.40) HTR6HTR2CPOLBSMN1; SMN2PNMT
SCHEMBL6208201 0.70 KDR (0.39) HTR2CHTR2BHTR2AKDRPDGFRB
SCHEMBL31391902 0.70 KDR (0.36) HTR2CHTR2BHTR2AKDRPDGFRB
SCHEMBL16220603 0.67 PNMT (0.38) HTR6POLBSMN1; SMN2ASIC3PNMT
SCHEMBL10095074 0.67 POLB (0.47) HTR6HTR2CPOLBSMN1; SMN2ASIC3
SCHEMBL15088358 0.66 BPTF (0.39) HTR6HTR2CPNMTCD44MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388181-B2 Substituted 1,2,3,4-tetrahydropyrido[3,4-E] pyrrolo[1,2-A]pyrimidines as kinase ALLERGAN, INC. (US) 2016-07-12 US disclosed
US-9388181-B2 Substituted 1,2,3,4-tetrahydropyrido[3,4-E] pyrrolo[1,2-A]pyrimidines as kinase ALLERGAN, INC. (US) 2016-07-12 US disclosed
US-9388181-B2 Substituted 1,2,3,4-tetrahydropyrido[3,4-E] pyrrolo[1,2-A]pyrimidines as kinase ALLERGAN, INC. (US) 2016-07-12 US disclosed
US-20160096837-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROPYRIDO[3,4-E] PYRROLO[1,2-A]PYRIMIDINES AS KINASE INHIBITORS ALLERGAN, INC. 2016-04-07 US disclosed
US-20160096837-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROPYRIDO[3,4-E] PYRROLO[1,2-A]PYRIMIDINES AS KINASE INHIBITORS ALLERGAN, INC. 2016-04-07 US disclosed
US-20160096837-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROPYRIDO[3,4-E] PYRROLO[1,2-A]PYRIMIDINES AS KINASE INHIBITORS ALLERGAN, INC. 2016-04-07 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-20160096837-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROPYRIDO[3,4-E] PYRROLO[1,2-A]PYRIMIDINES AS KINASE INHIBITORS TK1, CDK2, MAP4K2 HTR6 1589/4885HTR2C 1267/4885HTR2B 1664/4885

“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.