SCHEMBL12416449

SCHEMBL12416449

[2H]c1c(-c2nnc3c4ccccc4c(Cl)nn23)noc1C([2H])([2H])[2H]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GABRA1 P14867 7/20 0.44
GABRG2 P18507 7/20 0.44
GABRB3 P28472 7/20 0.44
GABRA5 P31644 7/20 0.44
GABRA3 P34903 7/20 0.44
GABRA2 P47869 7/20 0.44
GABRA4 P48169 1/20 0.44
GABRA6 Q16445 1/20 0.44
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
CACNA2D1 P54289 1/20 0.38
APAF1 O14727 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
THRB P10828 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
SCHEMBL2192508 0.89 RXFP1 (0.52) RXFP1L3MBTL1GABRA1GABRG2GABRB3
SCHEMBL1258627 0.84 GABRA1 (0.58) RXFP1L3MBTL1GABRA1GABRG2GABRB3
SCHEMBL31058084 0.84 GABRA1 (0.58) RXFP1L3MBTL1GABRA1GABRG2GABRB3
SCHEMBL7403266 0.76 GABRA1 (0.50) RXFP1L3MBTL1GABRA1GABRG2GABRB3
SCHEMBL7478081 0.75 RXFP1 (0.52) RXFP1L3MBTL1GABRA1GABRG2GABRB3
SCHEMBL12416458 0.75 GABRA1 (0.79) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12416453 0.75 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7479574 0.74 RXFP1 (0.56) RXFP1L3MBTL1GABRA1GABRG2GABRB3
SCHEMBL21362800 0.74 GABRG2 (0.50) RXFP1L3MBTL1GABRA1GABRG2GABRB3
SCHEMBL7482551 0.73 RXFP1 (0.49) RXFP1L3MBTL1GABRA1GABRG2GABRB3

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-20140024652-A1 SUBSTITUTED TRIAZOLOPHTHALAZINE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2014-01-23 US disclosed
US-8557815-B2 Substituted triazolophthalazine derivatives CONCERT PHARMACEUTICALS, INC. (US) 2013-10-15 US disclosed
US-20110172235-A1 SUBSTITUTED TRIAZOLOPHTHALAZINE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2011-07-14 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-20110172235-A1 SUBSTITUTED TRIAZOLOPHTHALAZINE DERIVATIVES GPR55, HTR5A, GRK5 RXFP1 361/4885L3MBTL1 4074/4885GABRA1 155/4885
US-20140024652-A1 SUBSTITUTED TRIAZOLOPHTHALAZINE DERIVATIVES GPR55, HTR5A, GRK5 RXFP1 361/4885L3MBTL1 4074/4885GABRA1 155/4885

“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.