SCHEMBL20830150

SCHEMBL20830150

Cn1c(-n2[nH]c(CSc3ccccc3)cc2=O)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.47
▸ ALDH1A1 P00352 8/20 0.44
▸ MAPT P10636 5/20 0.44
▸ GAA P10253 5/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ POLB P06746 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ CXCR2 P25025 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ HPGD P15428 3/20 0.39
▸ 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
SCHEMBL20819222 0.75 KDM4E (0.59) KDM4EMAPTGAAMEN1KMT2A
SCHEMBL19918060 0.74 KMT2A (0.75) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL20830314 0.74 KMT2A (0.46) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL20830170 0.71 KDM4C (0.51) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL20819200 0.71 KMT2A (0.51) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL20830154 0.70 KMT2A (0.41) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL20830336 0.70 KDM4E (0.60) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL20830327 0.69 KDM4C (0.46) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL20830149 0.68 KDM4C (0.51) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL20830340 0.68 KDM4E (0.56) KDM4EMAPTGAAMEN1KMT2A

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-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
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 KDM4E 3372/4885ALDH1A1 2215/4885MAPT 3664/4885

“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.

Send feedback