SCHEMBL3107628

SCHEMBL3107628

CCOc1ccc(N(C)c2nc(CN3C(=O)c4ccccc4C3=O)nc3ccccc23)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.40
TSHR P16473 1/20 0.38
PTK2B Q14289 1/20 0.38
RPS6KA2 Q15349 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
TP53 P04637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
GBA1 P04062 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
GUSB P08236 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 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
SCHEMBL3113682 0.83 KMT2A (0.42) PDE10ATSHRPTK2BALDH1A1TP53
SCHEMBL3113730 0.82 EGFR (0.39) ALDH1A1HPGDSMN1; SMN2TP53KDM4E
SCHEMBL3108417 0.82 KDM4E (0.39) ALDH1A1HPGDSMN1; SMN2TP53KDM4E
SCHEMBL92760 0.77 EGFR (0.58) PDE10ARPS6KA2HPGD
SCHEMBL3112893 0.77 KMT2A (0.42) PDE10ATSHRPTK2BNPSR1KMT2A
SCHEMBL3120789 0.72 EGFR (0.43) PDE10ATSHRPTK2BKDM4ELMNA
SCHEMBL3125446 0.72 EGFR (0.48) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL3114645 0.72 EGFR (0.46) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL3121307 0.71 EGFR (0.44) PDE10ATSHRALDH1A1TP53KDM4E
SCHEMBL3114942 0.69 TUBB3 (0.33) TSHRRPS6KA2ALDH1A1TP53KMT2A

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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 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 (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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX PDE10A 3513/4885TSHR 4526/4885PTK2B 2552/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX PDE10A 3402/4885TSHR 4539/4885PTK2B 2230/4885

“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.