SCHEMBL21593663

SCHEMBL21593663

Cc1cc2ncccc2cc1N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 6/20 0.41
PABPC1 P11940 1/20 0.41
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
CYP3A4 P08684 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ALOX15 P16050 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
SCHEMBL21593570 0.80 ESR2 (0.39) NPC1KDM4EALDH1A1RAB9AMAPT
SCHEMBL21593566 0.77 ESR1 (0.36) NPC1KDM4EALDH1A1RAB9AMEN1
SCHEMBL31600625 0.75 KDM4E (0.38) NPC1KDM4EALDH1A1RAB9AMAPT
SCHEMBL6142181 0.75 PLAU (0.50) NPC1KDM4EALDH1A1RAB9AMEN1
SCHEMBL7215767 0.74 ESR2 (0.36) NPC1KDM4EALDH1A1RAB9AMEN1
SCHEMBL20278402 0.74 ALDH1A1 (0.49) NPC1KDM4EALDH1A1PABPC1RAB9A
SCHEMBL31601048 0.74 ESR2 (0.41) NPC1KDM4EALDH1A1RAB9AESR1
SCHEMBL8404544 0.72 ALDH1A1 (0.61) NPC1KDM4EALDH1A1RAB9AMEN1
SCHEMBL31186675 0.72 ALDH1A1 (0.61) NPC1KDM4EALDH1A1RAB9AMEN1
SCHEMBL246244 0.70 ALDH1A1 (0.53) NPC1KDM4EALDH1A1RAB9AMEN1

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-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2024-05-09 US disclosed
US-11884671-B2 Purinone compounds and their use in treating cancer ASTRAZENECA AB (SE) 2024-01-30 US disclosed
EP-3807278-B1 PURINONE DERIVATIVES AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2022-08-31 EP disclosed
US-20210171525-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-10 US disclosed
US-20210171525-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-10 US disclosed
WO-2019238929-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-12-19 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 (3 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-20210171525-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB NPC1 1972/4885KDM4E 2288/4885ALDH1A1 120/4885
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB NPC1 2045/4885KDM4E 1890/4885ALDH1A1 185/4885
US-11884671-B2 Purinone compounds and their use in treating cancer RECQL, PRPS1, PURB NPC1 1972/4885KDM4E 2288/4885ALDH1A1 120/4885

“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.