SCHEMBL19449228

SCHEMBL19449228

Cn1c(N/N=C(\C#N)c2ccccn2)nc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.51
ALDH1A1 P00352 6/20 0.51
RAB9A P51151 8/20 0.50
MAPT P10636 5/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
CREBBP Q92793 1/20 0.48
NPC1 O15118 8/20 0.44
KMT2A Q03164 5/20 0.44
PAX8 Q06710 2/20 0.43
MT-CO1 P00395 1/20 0.41
MT-CO2 P00403 1/20 0.41
MEN1 O00255 4/20 0.40
LMNA P02545 4/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 3/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 2/20 0.40

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 0.87 MT-CO1 (0.47) SMN1; SMN2ALDH1A1RAB9AMAPTHTT
SCHEMBL19449247 0.85 MT-CO1 (0.61) SMN1; SMN2ALDH1A1RAB9AMAPTHTT
SCHEMBL17985743 0.83 PAX8 (0.60) SMN1; SMN2ALDH1A1RAB9AMAPTHTT
SCHEMBL29365433 0.83 PAX8 (0.60) SMN1; SMN2ALDH1A1RAB9AMAPTHTT
Hydrochloric Acid SCHEMBL29441952 0.82 PAX8 (0.59) SMN1; SMN2ALDH1A1RAB9AMAPTHTT
Hydrochloric Acid SCHEMBL18632047 0.82 PAX8 (0.59) SMN1; SMN2ALDH1A1RAB9AMAPTHTT
SCHEMBL31237816 0.79 RAB9A (0.51) SMN1; SMN2ALDH1A1RAB9AMAPTHTT
SCHEMBL19449221 0.75 MT-CO1 (0.67) SMN1; SMN2ALDH1A1RAB9AMAPTHTT
SCHEMBL19449283 0.73 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1RAB9AMAPTHTT
SCHEMBL19449250 0.71 KDM5A (0.56) SMN1; SMN2ALDH1A1RAB9AMAPTHTT

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 SMN1; SMN2 2764/4885ALDH1A1 4490/4885RAB9A 3522/4885
US-20190216810-A1 SMALL MOLECULE REGULATORS OF STEROID RECEPTOR COACTIVATORS AND METHODS OF USE THEREOF NCOA2, NCOA3, NCOA1 SMN1; SMN2 2764/4885ALDH1A1 4490/4885RAB9A 3522/4885
US-20200085824-A1 SMALL MOLECULE REGULATORS OF STEROID RECEPTOR COACTIVATORS AND METHODS OF USE THEREOF NCOA2, NCOA3, NCOA1 SMN1; SMN2 2764/4885ALDH1A1 4490/4885RAB9A 3522/4885
US-10265315-B2 Small molecule regulators of steroid receptor coactivators and methods of use thereof NCOA2, NCOA3, NCOA1 SMN1; SMN2 2764/4885ALDH1A1 4490/4885RAB9A 3522/4885
US-20170290830-A1 SMALL MOLECULE REGULATORS OF STEROID RECEPTOR COACTIVATORS AND METHODS OF USE THEREOF NCOA2, NCOA3, NCOA1 SMN1; SMN2 2764/4885ALDH1A1 4490/4885RAB9A 3522/4885

“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.