SCHEMBL2117744

SCHEMBL2117744

Clc1nc(-c2nc(Cc3ccccc3)cs2)nc(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.44
DRD4 P21917 3/20 0.44
DRD3 P35462 3/20 0.44
C1S P09871 1/20 0.43
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
GFER P55789 1/20 0.40
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL2116082 0.80 C1S (0.49) DRD2DRD4DRD3C1SALDH1A1
SCHEMBL25427585 0.79 SLC6A3 (0.50) DRD2DRD4DRD3C1SALDH1A1
SCHEMBL28177852 0.79 DRD2 (0.61) DRD2DRD4DRD3C1SALDH1A1
SCHEMBL6375308 0.74 KDM4E (0.57) DRD2DRD4DRD3C1SALDH1A1
Hydrochloric Acid SCHEMBL10611955 0.73 KDM4E (0.56) DRD2DRD4DRD3C1SALDH1A1
SCHEMBL6378638 0.71 PDE10A (0.55) DRD2DRD4DRD3C1SALDH1A1
SCHEMBL2117407 0.70 DRD2 (0.43) DRD2DRD4DRD3ALDH1A1L3MBTL1
SCHEMBL11065008 0.70 NOS1 (0.44) DRD2DRD4DRD3C1SALDH1A1
SCHEMBL28759152 0.70 HDAC1 (0.59) C1SALDH1A1L3MBTL1TDP1RAB9A
SCHEMBL2705651 0.69 HDAC1 (0.48) DRD2DRD4DRD3C1SALDH1A1

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-8158787-B2 Process for producing trichloropyrimidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-17 US disclosed
US-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2128141-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2009-12-02 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-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND DPYD, TYMP, TST DRD2 1883/4885DRD4 1491/4885DRD3 2717/4885

“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.