SCHEMBL15323583

SCHEMBL15323583

Cc1nnc(Cc2ccccc2)nn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
HPGD P15428 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LMNA P02545 1/20 0.39
LTA4H P09960 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL15323022 0.88 CALM1 (0.61) CALM1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL28242515 0.77 CALM1 (0.48) CALM1ALDH1A1TAAR1HRH3LTA4H
SCHEMBL17358224 0.77 L3MBTL1 (0.49) CALM1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL17548980 0.76 ALDH1A1 (0.47) CALM1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL29076175 0.76 TDP1 (0.56) CALM1TSHRTDP1ALDH1A1TAAR1
SCHEMBL26328836 0.75 TSHR (0.58) L3MBTL1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL15322628 0.75 GPR84 (0.56) CALM1L3MBTL1TDP1
SCHEMBL21372063 0.74 CALM1 (0.50) CALM1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL23986776 0.72 TAAR1 (0.48) TAAR1
SCHEMBL2614741 0.72 CALM1 (0.61) CALM1L3MBTL1NPC1RAB9ASMN1; SMN2

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-9533957-B2 Tetrazines and method of synthezising the same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-03 US disclosed
US-9533957-B2 Tetrazines and method of synthezising the same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-03 US disclosed
US-20150099277-A1 NOVEL TETRAZINES AND METHOD OF SYNTHEZISING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-04-09 US disclosed
US-20150099277-A1 NOVEL TETRAZINES AND METHOD OF SYNTHEZISING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-04-09 US disclosed
US-20150099277-A1 NOVEL TETRAZINES AND METHOD OF SYNTHEZISING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-04-09 US disclosed
WO-2013152359-A1 NOVEL TETRAZINES AND METHOD OF SYNTHESIZING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-10 WO 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-20150099277-A1 NOVEL TETRAZINES AND METHOD OF SYNTHEZISING THE SAME NBAS, NAA15, TALDO1 CALM1 2271/4885L3MBTL1 4096/4885NPC1 4348/4885

“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.