SCHEMBL5318358

SCHEMBL5318358

Cn1cc(-c2ccccc2)nc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
MAPT P10636 3/20 0.63
KDM4E B2RXH2 3/20 0.63
PKM P14618 2/20 0.63
TLR8 Q9NR97 2/20 0.58
FGFR1 P11362 2/20 0.53
NTRK1 P04629 1/20 0.53
IGF1R P08069 1/20 0.53
LTK P29376 1/20 0.53
MAP2K2 P36507 1/20 0.53
MAPK9 P45984 1/20 0.53
RPS6KA3 P51812 1/20 0.53
PRKX P51817 1/20 0.53
PRKCQ Q04759 1/20 0.53
TNK2 Q07912 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
ADORA1 P30542 4/20 0.50
ADORA2A P29274 3/20 0.50
TAAR1 Q96RJ0 1/20 0.50
KMT2A Q03164 4/20 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
SCHEMBL28186684 0.78 TLR8 (0.61) ALDH1A1MAPTKDM4EPKMTLR8
SCHEMBL8830111 0.78 KDM4E (0.49) ALDH1A1MAPTKDM4EPKMTLR8
SCHEMBL724249 0.78 PDE3B (0.55) ALDH1A1MAPTKDM4EPKMTLR8
SCHEMBL2953516 0.78 MAPT (1.00) ALDH1A1MAPTKDM4EPKMTLR8
SCHEMBL28427170 0.77 TLR8 (0.82) ALDH1A1MAPTKDM4EPKMTLR8
SCHEMBL8830107 0.76 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EPKMTLR8
SCHEMBL974081 0.76 NPC1 (0.47) ALDH1A1MAPTKDM4EPKMTLR8
SCHEMBL14845272 0.76 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EPKMTLR8
SCHEMBL28430258 0.76 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EPKMTLR8
SCHEMBL5339452 0.76 TLR8 (0.71) ALDH1A1MAPTKDM4EPKMTLR8

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-12312337-B2 Compounds and methods for treating cancer ANTIDOTE IP HOLDINGS, LLC (US) 2025-05-27 US disclosed
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC 2022-06-30 US disclosed
EP-3966208-A2 COMPOUNDS AND METHODS FOR TREATING CANCER Antidote IP Holdings, LLC (US) 2022-03-16 EP disclosed
WO-2020231739-A2 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC (US) 2020-11-19 WO disclosed
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 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 (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-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER AHR, ARNT, HMOX1 ALDH1A1 152/4885MAPT 4304/4885KDM4E 1941/4885
US-12312337-B2 Compounds and methods for treating cancer AHR, ARNT, HMOX1 ALDH1A1 152/4885MAPT 4304/4885KDM4E 1941/4885

“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.