SCHEMBL2731895

SCHEMBL2731895

c1cnn(C2CCCCNC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.38
HCAR2 Q8TDS4 1/20 0.37
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
HTR2B P41595 4/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
BMPR1A P36894 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
ELOVL1 Q9BW60 1/20 0.31
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL20268998 0.95 HCAR2 (0.38) HTR6HCAR2JAK2JAK1TYK2
SCHEMBL2040684 0.95 HCAR2 (0.38) HTR6HCAR2JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL20270451 0.93 HCAR2 (0.37) HTR6HCAR2JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL20297398 0.93 HCAR2 (0.37) HTR6HCAR2JAK2JAK1TYK2
SCHEMBL28666857 0.87 HCAR2 (0.36) HCAR2HTR2BELOVL1HTR2AHTR2C
SCHEMBL16364698 0.87 HCAR2 (0.36) HCAR2HTR2BELOVL1HTR2AHTR2C
SCHEMBL16975378 0.87 HCAR2 (0.36) HCAR2HTR2BELOVL1HTR2AHTR2C
Hydrochloric Acid SCHEMBL18426762 0.86 HCAR2 (0.35) HCAR2HTR2BELOVL1HTR2AHTR2C
Hydrochloric Acid SCHEMBL21840086 0.86 HCAR2 (0.35) HCAR2HTR2BELOVL1HTR2AHTR2C
Pivalate SCHEMBL28290783 0.81 HCAR2 (0.41) HTR6HCAR2JAK2JAK1TYK2

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-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 US disclosed
EP-2632898-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS Biogen Idec MA Inc. (US) 2013-09-04 EP disclosed
WO-2012058645-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2012-05-03 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-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS TEC, ABL1, LCK HTR6 3831/4885HCAR2 4443/4885JAK2 127/4885

“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.