SCHEMBL20830149

SCHEMBL20830149

O=c1cc(CSc2ccccc2)[nH]n1-c1cc(Br)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 15/20 0.51
▸ KDM5B Q9UGL1 9/20 0.51
▸ KDM5A P29375 4/20 0.51
▸ KDM4A O75164 4/20 0.44
▸ KDM2B Q8NHM5 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NOX4 Q9NPH5 1/20 0.40
▸ NOX1 Q9Y5S8 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYB5R3 P00387 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CXCR2 P25025 1/20 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
SCHEMBL20830170 0.86 KDM4C (0.51) KDM4CKDM5BKDM5AKDM4AKDM2B
SCHEMBL20830337 0.84 KDM4C (0.45) KDM4CKDM5BKDM5AKDM4AKDM2B
SCHEMBL20830327 0.82 KDM4C (0.46) KDM4CKDM5BKDM5AKDM4AKDM2B
SCHEMBL20819200 0.76 KMT2A (0.51) KDM4CKDM5BKDM5AKDM2BALDH1A1
SCHEMBL20830154 0.76 KMT2A (0.41) KDM4CKDM5BKDM5AKDM4AALDH1A1
SCHEMBL20830152 0.76 KDM4C (0.48) KDM4CKDM5BKDM5AKDM4AKDM2B
SCHEMBL20830314 0.75 KMT2A (0.46) KDM4CKDM5BKDM5AKDM4AKDM2B
SCHEMBL20830155 0.74 NOX4 (0.45) KDM4CKDM5BKDM5AKDM4AKDM2B
SCHEMBL19918060 0.69 KMT2A (0.75) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL20819222 0.69 KDM4E (0.59) KDM4CKDM4AKDM4EMEN1GAA

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 KDM4C 4378/4885KDM5B 4047/4885KDM5A 4302/4885

“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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