SCHEMBL19449243

SCHEMBL19449243

C/C(=N\N=c1n(C)c2ccccc2n1C)c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
MAPT P10636 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HTT P42858 1/20 0.64
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.42
TOP2A P11388 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
AGTR1 P30556 3/20 0.41
HSP90AA1 P07900 2/20 0.40
OPRK1 P41145 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 1/20 0.40
ALOX12 P18054 1/20 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
SCHEMBL19449269 0.78 NPC1 (0.56) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL1256130 0.78 KDM4E (0.73) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL19449233 0.71 NPC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL18753291 0.70 KDM4E (0.61) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL19449265 0.70 NPC1 (0.47) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL14148444 0.70 RAB9A (0.47) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL17985743 0.70 PAX8 (0.60) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL29365433 0.70 PAX8 (0.60) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL167986 0.69 KDM4E (0.70) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL241401 0.69 KDM4E (0.70) NPC1RAB9AMAPTSMN1; SMN2HTT

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 7 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
WO-2017176981-A1 SMALL MOLECULE REGULATORS OF STEROID RECEPTOR COACTIVATORS AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2017-10-12 WO 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 NPC1 1168/4885RAB9A 3522/4885MAPT 1663/4885
US-20190216810-A1 SMALL MOLECULE REGULATORS OF STEROID RECEPTOR COACTIVATORS AND METHODS OF USE THEREOF NCOA2, NCOA3, NCOA1 NPC1 1168/4885RAB9A 3522/4885MAPT 1663/4885
US-20200085824-A1 SMALL MOLECULE REGULATORS OF STEROID RECEPTOR COACTIVATORS AND METHODS OF USE THEREOF NCOA2, NCOA3, NCOA1 NPC1 1168/4885RAB9A 3522/4885MAPT 1663/4885
US-10265315-B2 Small molecule regulators of steroid receptor coactivators and methods of use thereof NCOA2, NCOA3, NCOA1 NPC1 1168/4885RAB9A 3522/4885MAPT 1663/4885
US-20170290830-A1 SMALL MOLECULE REGULATORS OF STEROID RECEPTOR COACTIVATORS AND METHODS OF USE THEREOF NCOA2, NCOA3, NCOA1 NPC1 1168/4885RAB9A 3522/4885MAPT 1663/4885

“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.