SCHEMBL104332

SCHEMBL104332

CC(C)c1ccc(C(=O)NC2CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.47
NR3C1 P04150 1/20 0.46
PARP1 P09874 2/20 0.45
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.43
EPHX1 P07099 1/20 0.43
NFKB1 P19838 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL25605312 0.82 PRKAB2 (0.43) SMN1; SMN2NPC1RAB9ANR3C1PARP1
SCHEMBL25790406 0.81 GPR119 (0.40) NR3C1PARP1PRKAB2PRKAG1PRKAA2
SCHEMBL178410 0.80 CNR1 (0.52) SMN1; SMN2NPC1RAB9ANR3C1PRKAB2
SCHEMBL12794020 0.79 NPC1 (0.51) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL22387208 0.79 NPC1 (0.51) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL25692506 0.78 SMYD3 (0.55) SMN1; SMN2NPC1RAB9ATSHRBRD4
SCHEMBL17253106 0.78 PRKAB2 (0.48) NPC1RAB9APRKAB2PRKAG1PRKAA2
SCHEMBL16472325 0.78 CHRM2 (0.55) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL20046069 0.78 AR (0.65) PRKAA2
SCHEMBL24833741 0.77 CRBN (0.62) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802128-B2 Azetidine and pyrrolidine PARP1 inhibitors and uses thereof XINTHERA, INC. (US) 2023-10-31 US disclosed
WO-2023134647-A1 PIPERAZINO RING-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 优领医药科技(香港)有限公司 2023-07-20 WO disclosed
US-20230203033-A1 AZETIDINE AND PYRROLIDINE PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-06-29 US disclosed
WO-2023109521-A1 PARP INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 凯复(苏州)生物医药有限公司 2023-06-22 WO disclosed
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-04-27 US disclosed
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-04-27 US disclosed
US-11591331-B2 PARP1 inhibitors and uses thereof XINTHERA, INC. (US) 2023-02-28 US disclosed
US-10308652-B2 Tricyclic heterocyclic compounds useful as inhibitors of TNF BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-04 US disclosed
US-20180111937-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TNF BRISTOL MYERS SQUIBB CO (US) 2018-04-26 US disclosed
US-8987268-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
US-8962637-B2 Bicyclic compounds and their uses as dual c-SRC/JAK inhibitors DEBIOPHARM S.A. (CH) 2015-02-24 US disclosed
US-8962637-B2 Bicyclic compounds and their uses as dual c-SRC/JAK inhibitors DEBIOPHARM S.A. (CH) 2015-02-24 US disclosed
EP-2536722-B1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM SA (CH) 2014-04-16 EP disclosed
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 US disclosed
US-20130143895-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM S.A. (CH) 2013-06-06 US disclosed
US-20130143895-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM S.A. (CH) 2013-06-06 US disclosed
US-8440679-B2 Bicyclic compounds and their uses as dual c-SRC / JAK inhibitors DEBIOPHARM S.A. (CH) 2013-05-14 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
WO-2011101806-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM S.A. (CH) 2011-08-25 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 (9 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 SMN1; SMN2 4581/4885NPC1 1892/4885RAB9A 3030/4885
US-11802128-B2 Azetidine and pyrrolidine PARP1 inhibitors and uses thereof PARP1, PARP11, PARP12 SMN1; SMN2 3578/4885NPC1 2929/4885RAB9A 1110/4885
US-20230203033-A1 AZETIDINE AND PYRROLIDINE PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 SMN1; SMN2 3533/4885NPC1 3172/4885RAB9A 1205/4885
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 SMN1; SMN2 3751/4885NPC1 2940/4885RAB9A 3330/4885
US-20180111937-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TNF TNF, TNFRSF1A, TNFRSF9 SMN1; SMN2 4361/4885NPC1 3950/4885RAB9A 1442/4885
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 SMN1; SMN2 4827/4885NPC1 4824/4885RAB9A 2466/4885
US-10308652-B2 Tricyclic heterocyclic compounds useful as inhibitors of TNF TNF, TNFRSF1A, TNFRSF9 SMN1; SMN2 4361/4885NPC1 3950/4885RAB9A 1442/4885
US-11591331-B2 PARP1 inhibitors and uses thereof PARP1, PARP11, PARP12 SMN1; SMN2 3751/4885NPC1 2940/4885RAB9A 3330/4885
US-20130143895-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS JAK2, SRC, JAK1 SMN1; SMN2 4607/4885NPC1 3689/4885RAB9A 2284/4885

“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.