SCHEMBL3107340

SCHEMBL3107340

NC(=O)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
KMT2A Q03164 4/20 0.61
KDM4E B2RXH2 2/20 0.61
MAPT P10636 8/20 0.57
GAA P10253 3/20 0.57
RAB9A P51151 2/20 0.57
HTT P42858 5/20 0.50
NR2F2 P24468 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
MEN1 O00255 2/20 0.47
NPSR1 Q6W5P4 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
TNF P01375 1/20 0.44
NOD2 Q9HC29 1/20 0.44

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
SCHEMBL11722619 0.76 ALDH1A1 (1.00) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL30996188 0.76 ALDH1A1 (1.00) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL6712592 0.73 MAPT (1.00) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL30680980 0.70 ALDH1A1 (0.79) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL25676434 0.70 ALDH1A1 (0.60) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL11973850 0.68 KMT2A (0.40) KMT2APTPN1KCNN4
SCHEMBL2826285 0.67 P2RX7 (0.67) KMT2A
SCHEMBL15111107 0.67 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL30438047 0.67 BACE1 (0.59)
SCHEMBL30680981 0.67 ALDH1A1 (0.79) ALDH1A1KMT2AKDM4EMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US claimed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US disclosed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO 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 (2 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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG ALDH1A1 1381/4885KMT2A 3672/4885KDM4E 3666/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG ALDH1A1 1381/4885KMT2A 3672/4885KDM4E 3666/4885

“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.