SCHEMBL18896281

SCHEMBL18896281

CCCCCCCC(CCCC)c1cccc(N)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
CSNK1E P49674 1/20 0.42
GRM2 Q14416 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
NR1I2 O75469 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
HTR2A P28223 1/20 0.36

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
SCHEMBL24767617 1.00 TSHR (0.49) TSHRCSNK1EGRM2SPHK1NR1I2
SCHEMBL1068393 0.98 TSHR (0.50) TSHRCSNK1EGRM2SPHK1NR1I2
SCHEMBL28300830 0.98 TSHR (0.50) TSHRCSNK1EGRM2SPHK1NR1I2
SCHEMBL24349584 0.98 TSHR (0.50) TSHRCSNK1EGRM2SPHK1NR1I2
SCHEMBL18557410 0.98 TSHR (0.50) TSHRCSNK1EGRM2SPHK1NR1I2
SCHEMBL28183514 0.95 TSHR (0.45) TSHRCSNK1EGRM2CPN1CPB2
SCHEMBL20921369 0.88 TSHR (0.42) TSHRGRM2NR1I2CPN1CPB2
SCHEMBL28710729 0.86 NR1I2 (0.44) CSNK1ENR1I2HTR2A
SCHEMBL18922904 0.84 CYP3A4 (0.42) TSHRCPN1CPB2
SCHEMBL6429607 0.83 TSHR (0.49) TSHRCSNK1EGRM2SPHK1CNR1

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-10398699-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2019-09-03 US disclosed
US-9760030-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-09-12 US disclosed
US-9662335-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-05-30 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-10398699-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors JAK3, JAK1, JAK2 TSHR 3192/4885CSNK1E 1450/4885GRM2 1785/4885

“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.