SCHEMBL20816334

SCHEMBL20816334

c1ccc2c(-c3nc4ccccc4n4cccc34)cccc2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAD51 Q06609 8/20 0.55
▸ PTPN1 P18031 2/20 0.50
▸ PTPN2 P17706 1/20 0.50
▸ KDM4E B2RXH2 5/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ HPGD P15428 5/20 0.44
▸ MAPT P10636 3/20 0.44
▸ FLT3 P36888 2/20 0.41
▸ BMX P51813 1/20 0.41
▸ HTR3E A5X5Y0 1/20 0.41
▸ HTR3B O95264 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ HTR3D Q70Z44 1/20 0.41
▸ HTR3C Q8WXA8 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL11491773 0.80 MAPK8 (0.46) RAD51KDM4EALDH1A1HPGDMAPT
SCHEMBL17039578 0.76 TUBB4A (0.38) PTPN1KDM4EALDH1A1HPGDMAPT
SCHEMBL6341548 0.75 ALDH1A1 (0.57) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL13003639 0.75 RAD51 (0.41) RAD51PTPN1PTPN2KDM4EALDH1A1
SCHEMBL20836377 0.75 RAD51 (0.78) RAD51PTPN1PTPN2KDM4EALDH1A1
SCHEMBL28694505 0.73 MAPT (0.68) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL24104967 0.72 GSR (0.40) KDM4EALDH1A1HPGDMAPTFLT3
SCHEMBL18396423 0.72 ACHE (0.38) PTPN1PTPN2ALDH1A1MAPTFLT3
SCHEMBL20816323 0.71 RAD51 (1.00) RAD51PTPN1PTPN2KDM4EALDH1A1
SCHEMBL730440 0.71 KMT2A (0.46) KDM4EALDH1A1HPGDMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10973819-B2 Small molecules inhibitors of RAD51 THE UNIVERSITY OF CHICAGO (US) 2021-04-13 — — US disclosed
US-10973819-B2 Small molecules inhibitors of RAD51 THE UNIVERSITY OF CHICAGO (US) 2021-04-13 — — US disclosed
US-20190083491-A1 SMALL MOLECULES INHIBITORS OF RAD51 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-03-21 — — US disclosed
US-20190083491-A1 SMALL MOLECULES INHIBITORS OF RAD51 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-03-21 — — 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-20190083491-A1 SMALL MOLECULES INHIBITORS OF RAD51 RAD51, MRE11, DDB1 RAD51 1/4885PTPN1 3645/4885PTPN2 3602/4885
US-10973819-B2 Small molecules inhibitors of RAD51 RAD51, MRE11, DDB1 RAD51 1/4885PTPN1 3645/4885PTPN2 3602/4885

“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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