SCHEMBL16178782

SCHEMBL16178782

CC1CN(C(=O)NCc2nccs2)CCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.38
▸ TSHR P16473 3/20 0.38
▸ HCRTR2 O43614 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ CYP2D6 P10635 3/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CTSK P43235 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ GAS6 Q14393 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ SCD O00767 1/20 0.35
▸ NAPEPLD Q6IQ20 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL22584714 0.85 ALOX15 (0.43) CYP3A4TSHRHCRTR2ALOX15CYP2D6
SCHEMBL16178751 0.82 RAB9A (0.41) NAMPTHRH4EPHX2ALDH1A1
SCHEMBL14307199 0.82 MAPT (0.40) CYP3A4TSHRHCRTR2MAPTCYP2D6
SCHEMBL14335796 0.81 CYP2D6 (0.49) TSHRMAPTCYP2D6EPHX2ALDH1A1
SCHEMBL16178796 0.79 KDM4E (0.35) TSHRMAPTHRH4NTRK1ALDH1A1
SCHEMBL16178785 0.73 EPHX2 (0.62) CYP3A4TSHRMAPTCYP2C19EPHX2
SCHEMBL22607070 0.73 PARP1 (0.41) CYP3A4TSHRALOX15CYP2D6NAMPT
SCHEMBL28290484 0.71 ALOX15 (0.51) CYP3A4TSHRALOX15CYP2D6CYP2C19
SCHEMBL22584709 0.71 CYP3A4 (0.46) CYP3A4TSHRHCRTR2MAPTCYP2D6
SCHEMBL14941502 0.70 EPHX2 (0.47) CYP3A4MAPTALOX15EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 — — US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 — — 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-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 CYP3A4 770/4885TSHR 2062/4885HCRTR2 4705/4885

“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.

Send feedback