SCHEMBL30200067

SCHEMBL30200067

c1cncc(-c2cc(NC3CCCC3)ncn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.54
CYP3A4 P08684 7/20 0.54
CLK4 Q9HAZ1 6/20 0.54
CYP2D6 P10635 6/20 0.54
HSD17B10 Q99714 5/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALOX15 P16050 2/20 0.50
CYP2C19 P33261 3/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
TSHR P16473 2/20 0.48
KMO O15229 1/20 0.48
S1PR1 P21453 1/20 0.47
ATM Q13315 2/20 0.46
ATR Q13535 2/20 0.46

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
SCHEMBL20816293 0.77 CYP1A2 (0.62) CYP1A2CYP3A4CLK4CYP2D6HSD17B10
SCHEMBL30085846 0.73 GBA1 (0.51) CYP3A4CLK4ALDH1A1KMT2AKDM4E
SCHEMBL28894894 0.73 GBA1 (0.51) CYP3A4CLK4ALDH1A1KMT2AKDM4E
SCHEMBL13309777 0.71 LMNA (0.57) CYP1A2CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL18905235 0.71 KMO (0.68) CYP1A2CYP3A4CLK4CYP2D6HSD17B10
SCHEMBL12907691 0.70 CYP3A4 (0.58) CYP1A2CYP3A4CLK4CYP2D6HSD17B10
SCHEMBL29619202 0.69 GBA1 (0.56) ADORA3ADORA2AADORA1GBA1
SCHEMBL27847842 0.69 PTGS2 (0.46) CYP1A2HSD17B10ALDH1A1ALOX15ADORA2A
SCHEMBL24151512 0.68 KMO (0.59) CYP1A2CYP3A4CLK4CYP2D6HSD17B10
SCHEMBL558195 0.68 ASIC3 (0.65) CYP1A2CYP3A4CLK4CYP2D6HSD17B10

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-20250289818-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF CANCER TOLREMO THERAPEUTICS AG (CH) 2025-09-18 US disclosed
US-20230067929-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF CANCER TOLREMO THERAPEUTICS AG (CH) 2023-03-02 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-20250289818-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF CANCER SLC10A1, SLC6A6, SLC10A6 CYP1A2 646/4885CYP3A4 461/4885CLK4 887/4885
US-20230067929-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF CANCER SLC10A1, SLC6A6, SLC10A6 CYP1A2 768/4885CYP3A4 445/4885CLK4 676/4885

“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.