SCHEMBL481420

SCHEMBL481420

CCC(c1ccccc1)c1cnc(N)c(N)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
HRH1 P35367 7/20 0.38
HTR2A P28223 6/20 0.38
SIGMAR1 Q99720 1/20 0.38
CHRM2 P08172 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
S1PR1 P21453 1/20 0.36
LMNA P02545 1/20 0.36
HTR1B P28222 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MIF P14174 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL481780 0.79 KMT2A (0.41) TAAR1
SCHEMBL19813184 0.75 P2RX3 (0.44)
SCHEMBL977463 0.74 ESR1 (0.32)
SCHEMBL8281532 0.70 BACE1 (0.57) S1PR1LMNA
SCHEMBL290075 0.69 SLC6A2 (0.67) TSHRHRH1HTR2ASIGMAR1CHRM2
SCHEMBL17071880 0.69 SLC6A2 (0.67) TSHRHRH1HTR2ASIGMAR1CHRM2
SCHEMBL54346 0.69 HTR2A (0.59) HRH1HTR2ASIGMAR1LMNATAAR1
SCHEMBL29335014 0.68 NOS3 (0.39)
Ammonia Solution, Strong SCHEMBL5683105 0.66 HTR2A (0.56) TSHRHRH1HTR2ASIGMAR1LMNA
Ammonia Solution, Strong SCHEMBL10389261 0.66 HTR2A (0.56) TSHRHRH1HTR2ASIGMAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
CN-101573360-A Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2009-11-04 CN 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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA TSHR 2155/4885HRH1 1317/4885HTR2A 2051/4885

“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.