SCHEMBL19420148

SCHEMBL19420148

Oc1cc(Nc2cccc(C(F)(F)F)c2)ncn1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.70
EGFR P00533 6/20 0.59
ERBB4 Q15303 1/20 0.59
AURKA O14965 3/20 0.55
KDM4E B2RXH2 2/20 0.53
ABCG2 Q9UNQ0 1/20 0.52
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
ABL1 P00519 1/20 0.51
BCR P11274 1/20 0.51
IDH2 P48735 2/20 0.50
GAA P10253 1/20 0.49
KIF11 P52732 1/20 0.49
TNNI3K Q59H18 1/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL1387447 0.89 THRB (0.80) THRBEGFRERBB4AURKAKDM4E
SCHEMBL13778007 0.82 THRB (1.00) THRBEGFRERBB4AURKAKDM4E
SCHEMBL374140 0.82 THRB (0.70) THRBEGFRERBB4AURKAKDM4E
SCHEMBL374332 0.82 THRB (0.74) THRBEGFRERBB4AURKAKDM4E
SCHEMBL30141460 0.82 THRB (0.65) THRBEGFRERBB4AURKAKDM4E
SCHEMBL4239042 0.81 THRB (0.68) THRBEGFRERBB4AURKAKDM4E
SCHEMBL15533814 0.79 ABL1 (0.59) THRBEGFRERBB4AURKAKDM4E
SCHEMBL4239038 0.79 AURKA (0.70) THRBEGFRERBB4AURKAKDM4E
SCHEMBL8798662 0.78 AURKA (0.63) THRBEGFRERBB4AURKAKDM4E
SCHEMBL856156 0.77 MEN1 (0.56) EGFRKDM4ETSHRTNNI3KMAPT

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-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 THRB 2698/4885EGFR 3068/4885ERBB4 3400/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA THRB 3537/4885EGFR 1846/4885ERBB4 2510/4885

“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.