SCHEMBL19449242

SCHEMBL19449242

C/C(=N\Nc1nc2cc(F)c(F)cc2n1C)c1ncccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO1 P00395 2/20 1.00
MT-CO2 P00403 2/20 1.00
EDNRA P25101 1/20 0.65
OPRM1 P35372 1/20 0.65
HTR2B P41595 1/20 0.65
KCNH2 Q12809 1/20 0.65
HSP90AA1 P07900 2/20 0.45
HTT P42858 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 2/20 0.38
PAX8 Q06710 2/20 0.34
NPC1 O15118 4/20 0.34
POLB P06746 3/20 0.34
GAA P10253 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL19449240 0.91 MT-CO1 (0.84) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL21844902 0.88 MT-CO1 (0.79) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL19449244 0.86 MT-CO1 (0.76) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL19449277 0.86 MT-CO1 (0.75) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL19449224 0.82 MT-CO1 (0.69) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL19449221 0.81 MT-CO1 (0.67) MT-CO1MT-CO2HSP90AA1HTTALOX15
SCHEMBL19449245 0.80 MT-CO1 (0.69) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL19449219 0.79 MT-CO1 (1.00) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL19449212 0.78 MT-CO1 (0.64) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL19449247 0.77 MT-CO1 (0.61) 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.