SCHEMBL2117424

SCHEMBL2117424

COc1ccc2c([c]cn2Cc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.48
PLA2G2A P14555 6/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 3/20 0.46
SIGMAR1 Q99720 2/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
KCNA3 P22001 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
PLA2G1B P04054 1/20 0.43
LPO P22079 1/20 0.41

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
SCHEMBL4384076 0.87 KCNA3 (0.46) PLA2G2AALDH1A1LMNAKCNA3TP53
SCHEMBL29136213 0.83 CCR2 (0.51) HTTLMNASIGMAR1TP53MAPT
SCHEMBL3091133 0.82 P2RX4 (0.48) HTR6ALDH1A1POLBHTTLMNA
SCHEMBL29136189 0.82 MAPT (0.47) ALDH1A1LMNAKCNA3TP53MAPT
SCHEMBL29136190 0.82 LPO (0.54) ALDH1A1POLBLMNASIGMAR1TP53
SCHEMBL22632586 0.80 HTR6 (0.43) HTR6ALDH1A1POLBHTTMAPT
SCHEMBL2117187 0.78 CD74 (0.40) HTR6ALDH1A1HTTMAPTKMT2A
SCHEMBL28031491 0.78 CNR1 (0.40) HTR6PLA2G2AALDH1A1LMNA
SCHEMBL15062690 0.78 IDO1 (0.39) HTTLMNAMAPTKMT2A
SCHEMBL6235287 0.77 GRM2 (0.46) HTR6ALDH1A1HTTMTNR1AMTNR1B

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 HTR6 2549/4885PLA2G2A 2826/4885ALDH1A1 2454/4885

“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.