SCHEMBL3689345

SCHEMBL3689345

Clc1cc2ncccc2c(N2CCNCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 2/20 0.52
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2D6 P10635 3/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTR2C P28335 2/20 0.50
CLK4 Q9HAZ1 2/20 0.49
GBA1 P04062 1/20 0.49
ALOX15 P16050 1/20 0.49
ADRB2 P07550 2/20 0.49
NCF1 P14598 2/20 0.49
HTR6 P50406 1/20 0.46
EPHX2 P34913 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCD Q05655 1/20 0.46

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
SCHEMBL23107655 0.86 L3MBTL1 (0.52) MEN1MAPTKMT2AHSD17B10TDP1
SCHEMBL23107995 0.84 OGA (0.43) CYP3A4CYP2D6MEN1MAPTCYP2C19
SCHEMBL23107682 0.84 PRKD1 (0.41) PRKD1CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL1486973 0.80 HTR2C (0.59) PRKD1CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL25106544 0.79 CHRNB2 (0.42) PRKD1CYP1A2CYP3A4CYP2D6MEN1
Hydrochloric Acid SCHEMBL3684027 0.78 HTR2C (0.57) PRKD1CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL23107849 0.78 ALOX15 (0.49) PRKD1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL29623594 0.78 HTR2C (0.65) CYP1A2CYP3A4HTR2CADRB2NCF1
SCHEMBL526056 0.78 HTR2C (0.65) CYP1A2CYP3A4HTR2CADRB2NCF1
SCHEMBL23108101 0.77 PRKD1 (0.47) PRKD1MEN1KMT2ACLK4EPHX2

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-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
EP-1724267-A1 PYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2006-11-22 EP 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-20070197551-A1 Pyrimidine derivatives HTR3B, HTR3A, HTR1A PRKD1 1355/4885CYP1A2 2022/4885CYP3A4 2803/4885

“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.