SCHEMBL19449247

SCHEMBL19449247

Cn1c(N/N=C(\C#N)c2ccccn2)nc2cc(F)c(F)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO1 P00395 2/20 0.61
MT-CO2 P00403 2/20 0.61
EDNRA P25101 1/20 0.53
OPRM1 P35372 1/20 0.53
HTR2B P41595 1/20 0.53
KCNH2 Q12809 1/20 0.53
NPC1 O15118 5/20 0.38
KMT2A Q03164 4/20 0.38
PAX8 Q06710 2/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 6/20 0.36
AGTR1 P30556 2/20 0.36
PKM P14618 1/20 0.36
GRM4 Q14833 1/20 0.35
MAPT P10636 7/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CREBBP Q92793 1/20 0.35
HTT P42858 5/20 0.35
ALOX15 P16050 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
SCHEMBL19449220 0.88 MT-CO1 (0.47) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL19449228 0.85 SMN1; SMN2 (0.51) MT-CO1MT-CO2NPC1KMT2APAX8
SCHEMBL19449244 0.85 MT-CO1 (0.76) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL19449212 0.78 MT-CO1 (0.64) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL19449242 0.77 MT-CO1 (1.00) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL19449246 0.73 MT-CO1 (0.60) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL19449245 0.70 MT-CO1 (0.69) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL19449258 0.70 RAB9A (0.34) MT-CO1MT-CO2NPC1KMT2ASMN1; SMN2
SCHEMBL19449216 0.69 PAX8 (0.53) MT-CO1MT-CO2EDNRAOPRM1HTR2B
SCHEMBL19449219 0.69 MT-CO1 (1.00) 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.