SCHEMBL23711565

SCHEMBL23711565

CN(C)Cc1ccc(-c2n[c]cs2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.53
TAAR1 Q96RJ0 2/20 0.47
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
BRD4 O60885 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
TTK P33981 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
PARP1 P09874 1/20 0.33
GRK6 P43250 1/20 0.33
TNKS O95271 1/20 0.33

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
SCHEMBL6026760 0.80 NPC1 (0.44) TAAR1ALDH1A1
SCHEMBL2093023 0.76 ALDH1A1 (0.41) ALDH1A1ACHEALOX5
SCHEMBL12679031 0.72 HRH3 (1.00) HRH3TAAR1ALDH1A1TSHRBRD4
SCHEMBL20582831 0.72 CYP19A1 (0.41) TAAR1ALDH1A1
SCHEMBL5544382 0.72 PDPK1 (0.41) TAAR1ALDH1A1
SCHEMBL5539570 0.72 RAB9A (0.41) ALDH1A1
SCHEMBL695101 0.71 KDM4E (0.46) ALDH1A1ALOX5
SCHEMBL315880 0.71 PDPK1 (0.43) ALDH1A1
SCHEMBL6603416 0.70
SCHEMBL659509 0.69 HRH3 (0.82) HRH3TAAR1ALDH1A1TSHRBRD4

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-11084811-B2 Compounds for treatment of cancer Oncternal Therapeutics, Inc. (US) 2021-08-10 US disclosed
CN-103442566-B The compound of Therapeutic cancer GTX, INC. (US) 2015-12-09 CN disclosed
CN-102883607-B Compounds for the treatment of cancer GTX INC 2015-07-22 CN disclosed
CN-104592205-A COMPOUNDS FOR TREATMENT OF CANCER GTX INC 2015-05-06 CN disclosed
CN-103442566-A Compounds for treatment of cancer GTX INC 2013-12-11 CN disclosed
CN-102883607-A Compounds for the treatment of cancer GTX INC (US) 2013-01-16 CN 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 (1 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-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 HRH3 3503/4885TAAR1 4514/4885ALDH1A1 209/4885

“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.