SCHEMBL165352

SCHEMBL165352

Cc1cc2c(Cl)nc(C(F)(F)c3ccc(F)cc3)nc2s1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
FLT3 P36888 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.34
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL20668048 0.80 ALDH1A1 (0.35) ALDH1A1MRGPRX1
SCHEMBL31044694 0.80 ALDH1A1 (0.35) ALDH1A1MRGPRX1
SCHEMBL31045048 0.79 ALDH1A1 (0.34) ALDH1A1MRGPRX1
SCHEMBL20668050 0.77 ALDH1A1 (0.33) ALDH1A1MRGPRX1
SCHEMBL166410 0.77 HTR2C (0.38) MRGPRX1MEN1KMT2A
SCHEMBL31044937 0.75 KDM4E (0.33) ALDH1A1MRGPRX1
SCHEMBL31044906 0.75 FLT3 (0.53) ALDH1A1FLT3MRGPRX1MEN1KMT2A
SCHEMBL174795 0.75 FLT3 (0.36) ALDH1A1FLT3MEN1KMT2A
SCHEMBL166340 0.75 NTRK1 (0.45)
SCHEMBL163386 0.75 GRM2 (0.39) ALDH1A1MEN1KMT2A

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-20130317045-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-28 US disclosed
EP-2611812-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030894-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 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 (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-20130317045-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, TYK2 ALDH1A1 2385/4885FLT3 51/4885MRGPRX1 3361/4885

“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.