Sugi Predict

Sugi Predict / Compounds / SCHEMBL9107516

SCHEMBL9107516

SCHEMBL9107516

CC(=O)Nc1cc(-c2cc(C(=O)NCc3ccccc3)c(-c3ccccc3Cl)o2)c(C)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 2/20 0.41
▸ PIK3C3 Q8NEB9 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ GHSR Q92847 1/20 0.39
▸ PDCD1 Q15116 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ HSP90AA1 P07900 2/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ RAB9A P51151 2/20 0.38

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
SCHEMBL9110460 0.93 KMT2A (0.47) KMT2AMEN1MAPK1KDM4EALDH1A1
SCHEMBL9103196 0.92 KDM4E (0.39) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL9106554 0.91 HPGD (0.42) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL9108275 0.89 PIK3C3 (0.42) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL9110058 0.89 HPGD (0.50) KMT2AKDM4EALDH1A1HPGDLMNA
SCHEMBL9109120 0.88 ALDH1A1 (0.47) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL9108936 0.88 ALDH1A1 (0.48) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL9888609 0.87 RAB9A (0.44) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL9108874 0.87 PIK3C3 (0.46) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL9890501 0.87 KMT2A (0.39) MAPTKMT2AMEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 — — US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 — — US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 — — US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 — — US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 — — US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 — — US disclosed
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 — — 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-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 MAPT 4237/4885KMT2A 2944/4885MEN1 3292/4885

“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.