SCHEMBL18409709

SCHEMBL18409709

Fc1cccc(-c2nc(CCc3c[nH]c4ccccc34)oc2-c2ccco2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.46
CDK4 P11802 3/20 0.42
CCND1 P24385 3/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 2/20 0.39
GPR84 Q9NQS5 1/20 0.38
POLB P06746 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL18409641 0.89 CDK4 (0.47) HTR6CDK4CCND1MEN1KMT2A
SCHEMBL18409711 0.87 HTR6 (0.44) HTR6CDK4CCND1MEN1KMT2A
SCHEMBL18409713 0.86 HTR6 (0.54) HTR6MEN1KMT2AHTR1ADRD2
SCHEMBL18409707 0.84 PTPN1 (0.44) HTR6CDK4CCND1MEN1KMT2A
SCHEMBL18409637 0.83 CDK4 (0.46) HTR6CDK4CCND1MEN1KMT2A
SCHEMBL18409714 0.80 HTR6 (0.45) HTR6MEN1KMT2AHTR1ADRD2
SCHEMBL18409706 0.80 HTR6 (0.52) HTR6MEN1KMT2AHTR1ADRD2
SCHEMBL18409571 0.80 GPR84 (0.50) CDK4CCND1MEN1KMT2AGPR84
SCHEMBL18409331 0.77 PDE10A (0.54) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL18409685 0.77 PTPN1 (0.46) HTR6HTR1ADRD2HTR2AHTR7

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-10844051-B2 Substituted oxazoles for the treatment of cancer THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY 2020-11-24 US disclosed
US-20180208586-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-07-26 US disclosed
WO-2017011920-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-01-26 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 (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-20180208586-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS VHL, TP53, CD44 HTR6 4055/4885CDK4 357/4885CCND1 3659/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 HTR6 4248/4885CDK4 76/4885CCND1 2228/4885

“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.