SCHEMBL21593570

SCHEMBL21593570

Cc1cc2nccc(C)c2cc1N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.39
ESR1 P03372 1/20 0.39
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HCRTR1 O43613 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SENP8 Q96LD8 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL21593566 0.88 ESR1 (0.36) ESR2ESR1KDM4ENPC1SMN1; SMN2
SCHEMBL21593663 0.80 NPC1 (0.43) ESR2ESR1KDM4ENPC1CCR1
SCHEMBL7215767 0.74 ESR2 (0.36) ESR2ESR1KDM4ENPC1CCR1
SCHEMBL31601048 0.74 ESR2 (0.41) ESR2ESR1KDM4ENPC1SMN1; SMN2
SCHEMBL862238 0.70 CCR1 (0.50) KDM4ENPC1CCR1CCR5CCR8
SCHEMBL23758436 0.70 GAA (0.44) ESR2ESR1SMN1; SMN2ALDH1A1HPGD
SCHEMBL31600625 0.69 KDM4E (0.38) ESR2ESR1KDM4ENPC1SMN1; SMN2
SCHEMBL11332805 0.68 ALDH1A1 (0.50) KDM4ENPC1CCR1CCR5CCR8
SCHEMBL21591890 0.68 SMN1; SMN2 (0.44) KDM4ENPC1CCR1CCR5CCR8
SCHEMBL29362546 0.68 SMN1; SMN2 (0.44) KDM4ENPC1CCR1CCR5CCR8

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 ESR2 1887/4885ESR1 2666/4885KDM4E 2288/4885
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB ESR2 1939/4885ESR1 2245/4885KDM4E 1890/4885
US-11884671-B2 Purinone compounds and their use in treating cancer RECQL, PRPS1, PURB ESR2 1887/4885ESR1 2666/4885KDM4E 2288/4885

“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.