SCHEMBL3720238

SCHEMBL3720238

Clc1nccc(C#Cc2ccc(OCc3ccccc3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.56
MAOB P27338 3/20 0.48
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
PTPN11 Q06124 1/20 0.46
GRM4 Q14833 1/20 0.46
PRMT5 O14744 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
FDFT1 P37268 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL10020217 0.82 GRM4 (0.64) FFAR1GRM4LMNACYP1A2CYP2C19
SCHEMBL14786201 0.79 MAOB (0.71) FFAR1MAOBPTPN1PTPN6PTPN11
SCHEMBL4374899 0.77 PLAAT3 (0.52) MAOBPRMT5LMNACYP1A2PTGS1
SCHEMBL29254767 0.76 PRMT5 (0.53) MAOBPRMT5LMNACYP1A2PTGS1
SCHEMBL31086460 0.76 PRMT5 (0.53) MAOBPRMT5LMNACYP1A2PTGS1
SCHEMBL708798 0.73 FFAR1 (0.56) FFAR1GRM4KCNH2
SCHEMBL10020221 0.73 FFAR1 (0.56) FFAR1GRM4LMNACYP1A2CYP2C19
SCHEMBL6981015 0.73 SYK (0.50) PRMT5LMNACYP1A2PTGS1SLC6A2
SCHEMBL1163924 0.73 ALKBH1 (0.47) PRMT5CYP2C19L3MBTL1ALOX5CYP3A4
SCHEMBL10411991 0.72 MAOB (0.67) FFAR1MAOBPTPN1PTPN6PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435436-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-07-30 EP disclosed
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 US disclosed
CN-102459264-A Pyrimidine inhibitors of kinase activity ABBOTT LAB 2012-05-16 CN disclosed
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 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-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity IGF1R, CDK2, TK1 FFAR1 996/4885MAOB 1887/4885PTPN1 1231/4885

“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.