SCHEMBL12065005

SCHEMBL12065005

CCCC(N)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.53
HTR2A P28223 2/20 0.50
HTR2B P41595 2/20 0.50
HTR2C P28335 1/20 0.50
EPHX1 P07099 2/20 0.49
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
TACR1 P25103 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
MC4R P32245 1/20 0.42
CES2 O00748 1/20 0.42
ACP3 P15309 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
OPRK1 P41145 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2399603 1.00 PNMT (0.53) PNMTHTR2AHTR2BHTR2CEPHX1
SCHEMBL1730389 0.90 EPHX1 (0.51) PNMTHTR2AHTR2BHTR2CEPHX1
SCHEMBL1730600 0.90 EPHX1 (0.51) PNMTHTR2AHTR2BHTR2CEPHX1
SCHEMBL29707581 0.86 PNMT (0.56) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL1727844 0.86 PNMT (0.56) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL2286649 0.86 PNMT (0.56) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL1730002 0.86 PNMT (0.56) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL9210534 0.86 PNMT (0.60) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL13358881 0.83 PNMT (0.57) PNMTHTR2AHTR2BHTR2CEPHX1
SCHEMBL381257 0.83 PNMT (0.57) PNMTHTR2AHTR2BHTR2CEPHX1

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-1569917-B1 PYRAZINE-BASED TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-12-07 EP disclosed
WO-2013104577-A1 BENZIMIDAZOLYL-ACETAMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS ACESION PHARMA APS (DK) 2013-07-18 WO disclosed
US-8084456-B2 Pyrazine-based tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-12-27 US disclosed
US-20070082894-A1 Pyrazine-based tubulin inhibitors CYTOPIA PTY LTD (AU) 2007-04-12 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-20070082894-A1 Pyrazine-based tubulin inhibitors TUBB1, TUBA1C, TUBB PNMT 3410/4885HTR2A 2907/4885HTR2B 2741/4885

“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.