SCHEMBL21817632

SCHEMBL21817632

COC(=O)c1cc(C)cc(-c2cccnc2C(F)(F)F)c1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 4/20 0.40
▸ WDR5 P61964 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ CYP46A1 Q9Y6A2 1/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ KAT6A Q92794 1/20 0.38
▸ MAP2K1 Q02750 1/20 0.38
▸ SDHB P21912 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ TDP2 O95551 1/20 0.36
▸ SOS1 Q07889 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 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
SCHEMBL21817221 0.84 WDR5 (0.41) CFTRWDR5KDM4EDHODHMAP2K1
SCHEMBL30645890 0.81 TDP2 (0.41) CFTRKDM4EDHODHTDP2POLB
SCHEMBL26605018 0.81 TDP2 (0.41) CFTRKDM4EDHODHTDP2POLB
SCHEMBL844529 0.76 KDM4E (0.51) CFTRKDM4EMAP2K1TDP1HDAC6
SCHEMBL21817305 0.76 WDR5 (0.64) WDR5
SCHEMBL21817786 0.74 CFTR (0.43) CFTRWDR5CYP46A1SLC6A4SLC6A3
SCHEMBL19583620 0.72 PSMD14 (0.44) CFTRKDM4ESOS1MRGPRX4
SCHEMBL21201095 0.69 PSMD14 (0.44) CFTRKDM4EMAP2K1
SCHEMBL973413 0.69 ALOX15 (0.45) CFTRKDM4EMAP2K1SDHBTDP1
SCHEMBL2148915 0.68 KDM4E (0.43) CFTRKDM4EDHODHMAP2K1TDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844044-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-11-24 — — US disclosed
US-20200102288-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-04-02 — — 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-20200102288-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 CFTR 2542/4885WDR5 1/4885KDM4E 121/4885
US-10844044-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 CFTR 2444/4885WDR5 1/4885KDM4E 111/4885

“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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