SCHEMBL25792160

SCHEMBL25792160

COc1cccnc1-c1ccc(N)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
G6PD P11413 1/20 0.43
SYK P43405 1/20 0.43
DPP4 P27487 1/20 0.41
CCR9 P51686 1/20 0.40
PDE7A Q13946 1/20 0.39
S100A4 P26447 1/20 0.39
KIT P10721 1/20 0.39
DYRK1A Q13627 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
PLAU P00749 1/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38

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
SCHEMBL15674379 0.85 CCR9 (0.49) ALDH1A1NPC1MAPTRAB9ADPP4
SCHEMBL25792156 0.82 KIT (0.56) G6PDPDE7AS100A4KITCCNT1
SCHEMBL31387690 0.81 SQOR (0.43) ALDH1A1SMN1; SMN2KDM4EGAAMAPT
SCHEMBL25394314 0.81 SQOR (0.43) ALDH1A1SMN1; SMN2KDM4EGAAMAPT
SCHEMBL15674467 0.80 DPP4 (0.53) ALDH1A1GAADPP4
SCHEMBL4811065 0.78 RORC (0.46) RAB9AMEN1KMT2A
SCHEMBL24056731 0.78 S100A4 (0.43) G6PDDPP4CCR9S100A4DYRK1A
SCHEMBL3865219 0.74 SYK (0.48) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL15674419 0.74 KCNA5 (0.44) G6PDDPP4CCR9S100A4
SCHEMBL7230871 0.74 MAP4K4 (0.50) ALDH1A1NPC1RAB9ASYKKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 US disclosed
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 US disclosed
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 US disclosed
EP-4161494-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. (US) 2023-04-12 EP 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-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, USP8, USP7 ALDH1A1 2350/4885SMN1; SMN2 1849/4885KDM4E 679/4885

“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.