SCHEMBL19449244

SCHEMBL19449244

C/C(=N\Nc1nc2cc(F)c(F)cc2n1C)c1ccccn1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MT-CO1 P00395 2/20 0.76
▸ MT-CO2 P00403 2/20 0.76
▸ EDNRA P25101 1/20 0.71
▸ OPRM1 P35372 1/20 0.71
▸ HTR2B P41595 1/20 0.71
▸ KCNH2 Q12809 1/20 0.71
▸ PAX8 Q06710 2/20 0.51
▸ KMT2A Q03164 5/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ GAA P10253 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ AGTR1 P30556 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ ALDH1A1 P00352 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
SCHEMBL19449212 0.92 MT-CO1 (0.64) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL19449246 0.87 MT-CO1 (0.60) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL19449242 0.86 MT-CO1 (1.00) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL19449247 0.85 MT-CO1 (0.61) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL19449245 0.84 MT-CO1 (0.69) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL17985743 0.83 PAX8 (0.60) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL29365433 0.83 PAX8 (0.60) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL19449216 0.83 PAX8 (0.53) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL19449219 0.83 MT-CO1 (1.00) MT-CO1MT-CO2EDNRAOPRM1HTR2B
Hydrochloric Acid SCHEMBL29441952 0.82 PAX8 (0.59) MT-CO1MT-CO2EDNRAOPRM1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11253517-B2 Small molecule regulators of steroid receptor coactivators and methods of use thereof BAYLOR COLLEGE OF MEDICINE (US) 2022-02-22 — — US disclosed
US-20200085824-A1 SMALL MOLECULE REGULATORS OF STEROID RECEPTOR COACTIVATORS AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2020-03-19 — — US disclosed
US-20190216810-A1 SMALL MOLECULE REGULATORS OF STEROID RECEPTOR COACTIVATORS AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2019-07-18 — — US disclosed
US-10265315-B2 Small molecule regulators of steroid receptor coactivators and methods of use thereof BAYLOR COLLEGE OF MEDICINE (US) 2019-04-23 — — US disclosed
US-20170290830-A1 SMALL MOLECULE REGULATORS OF STEROID RECEPTOR COACTIVATORS AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2017-10-12 — — US disclosed
US-20170290830-A1 SMALL MOLECULE REGULATORS OF STEROID RECEPTOR COACTIVATORS AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2017-10-12 — — 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 (5 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-11253517-B2 Small molecule regulators of steroid receptor coactivators and methods of use thereof NCOA2, NCOA3, NCOA1 MT-CO1 2559/4885MT-CO2 3459/4885EDNRA 2703/4885
US-20190216810-A1 SMALL MOLECULE REGULATORS OF STEROID RECEPTOR COACTIVATORS AND METHODS OF USE THEREOF NCOA2, NCOA3, NCOA1 MT-CO1 2559/4885MT-CO2 3459/4885EDNRA 2703/4885
US-20200085824-A1 SMALL MOLECULE REGULATORS OF STEROID RECEPTOR COACTIVATORS AND METHODS OF USE THEREOF NCOA2, NCOA3, NCOA1 MT-CO1 2559/4885MT-CO2 3459/4885EDNRA 2703/4885
US-10265315-B2 Small molecule regulators of steroid receptor coactivators and methods of use thereof NCOA2, NCOA3, NCOA1 MT-CO1 2559/4885MT-CO2 3459/4885EDNRA 2703/4885
US-20170290830-A1 SMALL MOLECULE REGULATORS OF STEROID RECEPTOR COACTIVATORS AND METHODS OF USE THEREOF NCOA2, NCOA3, NCOA1 MT-CO1 2559/4885MT-CO2 3459/4885EDNRA 2703/4885

“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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