SCHEMBL24652016

SCHEMBL24652016

CCC(CC)c1ccnc(N2CCN(C)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.52
HRH3 Q9Y5N1 2/20 0.45
HTR3A P46098 3/20 0.44
KDM4E B2RXH2 1/20 0.41
RAD52 P43351 1/20 0.41
UBE2N P61088 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LRRK2 Q5S007 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 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
SCHEMBL22201730 0.87 HRH4 (0.51) HRH4HRH3HTR3AKDM4ERAD52
SCHEMBL568727 0.85 HRH4 (0.50) HRH4HRH3HTR3AKDM4ERAD52
SCHEMBL18704867 0.84 PIK3CA (0.52) LRRK2
SCHEMBL18500387 0.84 ADRB1 (0.51) HRH4HRH3
SCHEMBL10203431 0.83 HRH4 (0.56) HRH4HRH3HTR3AKDM4ERAD52
SCHEMBL13266581 0.77 ALDH1A1 (0.45) HRH4HRH3HTR3AKDM4EL3MBTL1
SCHEMBL12503866 0.76 HRH4 (0.56) HRH4HRH3HTR3AKDM4ERAD52
SCHEMBL21475674 0.76 ADRB1 (0.47) HRH4HRH3
SCHEMBL29676386 0.75 HRH4 (0.44) HRH4KDM4ERAD52UBE2NL3MBTL1
SCHEMBL16019498 0.75 PANK3 (0.48) HRH4HRH3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746103-B2 ALK-5 inhibitors and uses thereof SUMITOMO PHARMA ONCOLOGY, INC. (US) 2023-09-05 US disclosed
US-20220315563-A1 ALK-5 INHIBITORS AND USES THEREOF SUMITOMO PHARMA ONCOLOGY, INC. 2022-10-06 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 (2 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-20220315563-A1 ALK-5 INHIBITORS AND USES THEREOF ACVR1, ALK, ACVRL1 HRH4 1515/4885HRH3 2119/4885HTR3A 2466/4885
US-11746103-B2 ALK-5 inhibitors and uses thereof ACVR1, ALK, ACVRL1 HRH4 1515/4885HRH3 2119/4885HTR3A 2466/4885

“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.