SCHEMBL24498596

SCHEMBL24498596

C#Cc1nc(C(=O)NCc2ccccc2)cn1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.51
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
MMP13 P45452 1/20 0.48
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
GLA P06280 1/20 0.45
NQO2 P16083 1/20 0.44
EGFR P00533 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL24498989 0.73 HPGD (0.63) ALDH1A1HPGDMMP13CYP1A2CYP2D6
SCHEMBL24498987 0.72 SMN1; SMN2 (0.54) ALDH1A1HPGDMMP13POLBCYP1A2
SCHEMBL24498384 0.71 ALDH1A1 (0.50) ALDH1A1HPGDMMP13POLBCYP1A2
SCHEMBL21753196 0.71 HPGD (0.79) ALDH1A1HPGDMMP13CYP1A2CYP2D6
SCHEMBL2736608 0.70 ALDH1A1 (0.59) BRD4ALDH1A1HPGDPOLBKDM4E
SCHEMBL21378607 0.69 CYP1A2 (0.68) ALDH1A1HPGDMMP13POLBPKM
SCHEMBL20833871 0.69 HPGD (0.55) BRD4ALDH1A1HPGDMMP13POLB
SCHEMBL20833587 0.69 BRD4 (0.51) BRD4ALDH1A1HPGDMMP13POLB
SCHEMBL3946632 0.68 HPGD (0.68) ALDH1A1HPGDMMP13CYP1A2CYP2D6
SCHEMBL3052998 0.68 SCD (0.61) ALDH1A1HPGDSMN1; SMN2NPC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076602-A Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses 嘉兴优博生物技术有限公司 2024-05-24 CN claimed
US-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC (CN) 2024-03-28 US claimed
EP-4255903-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS Eubulus Biotherapeutics Inc. (CN) 2023-10-11 EP claimed
WO-2022117064-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC. (CN) 2022-06-09 WO claimed
CN-118076602-A Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses 嘉兴优博生物技术有限公司 2024-05-24 CN disclosed
US-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC (CN) 2024-03-28 US disclosed
EP-4255903-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS Eubulus Biotherapeutics Inc. (CN) 2023-10-11 EP disclosed
WO-2022117064-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC. (CN) 2022-06-09 WO disclosed
WO-2022117064-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC. (CN) 2022-06-09 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 (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-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS GPX4, GPX1, ACAT1 BRD4 713/4885ALDH1A1 189/4885HPGD 158/4885

“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.