SCHEMBL20819229

SCHEMBL20819229

Cc1cc(C)nc(SCc2cc(=O)n(-c3ccc(C(F)(F)F)cn3)[nH]2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.40
▸ MET P08581 2/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KDM1A O60341 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ANXA2 P07355 2/20 0.35

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
SCHEMBL20830294 0.79 NOX4 (0.47) METKMT2AMAPTALDH1A1L3MBTL1
SCHEMBL20819200 0.69 KMT2A (0.51) KMT2AMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL20819217 0.68 ALKBH3 (0.60) KMT2AMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL20819194 0.67 KDM4E (0.64) KMT2AMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL20819205 0.65 KDM4E (0.47) KMT2AMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL20830324 0.64 HTT (0.45) KMT2AMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL20830295 0.64 RAB9A (0.46) METKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL20830314 0.63 KMT2A (0.46) KMT2AMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL3117348 0.61 SMN1; SMN2 (0.58) MAPTALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL20830170 0.60 KDM4C (0.51) KMT2AMAPTALDH1A1L3MBTL1SMN1; SMN2

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
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 — — US disclosed
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 — — US disclosed
EP-3681499-A1 COMPOUNDS AS RAS INHIBITORS AND USE THEREOF D.E. Shaw Research, LLC (US) 2020-07-22 — — EP disclosed
WO-2019055540-A1 COMPOUNDS AS RAS INHIBITORS AND USE THEREOF D.E. SHAW RESEARCH, LLC (US) 2019-03-21 — — WO disclosed
WO-2019055540-A1 COMPOUNDS AS RAS INHIBITORS AND USE THEREOF D.E. SHAW RESEARCH, LLC (US) 2019-03-21 — — 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-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof KRAS, NRAS, HRAS EGFR 179/4885MET 945/4885KMT2A 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.

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