SCHEMBL10095302

SCHEMBL10095302

O=C(NCc1cnccn1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 1/20 0.62
▸ NPC1 O15118 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ MAPK14 Q16539 1/20 0.55
▸ NAMPT P43490 2/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ HPGDS O60760 2/20 0.53
▸ ITK Q08881 3/20 0.52
▸ HDAC3 O15379 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ PIK3CA P42336 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50

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
SCHEMBL166484 0.82 LMNA (0.82) NPC1LMNAPOLBRAB9AMAPK14
SCHEMBL16598445 0.82 HTT (0.66) POLBCYP2C9MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL27843329 0.81 LMNA (0.80) NPC1LMNAPOLBRAB9AMAPK14
SCHEMBL1933893 0.80 HDAC3 (0.51) VNN1NAMPTCYP2C9HPGDSHDAC3
SCHEMBL13164056 0.80 KMT2A (0.63) VNN1LMNARAB9ANAMPTCYP2C9
SCHEMBL29415439 0.79 NPC1 (0.63) NPC1LMNAPOLBRAB9AMAPK14
SCHEMBL998521 0.79 NPC1 (0.63) NPC1LMNAPOLBRAB9AMAPK14
SCHEMBL16597986 0.79 SMN1; SMN2 (0.67) LMNAPOLBRAB9ACYP2C9HDAC3
SCHEMBL12484783 0.78 NAMPT (0.61) NPC1LMNAPOLBRAB9AMAPK14
SCHEMBL5791965 0.77 P2RX3 (0.53) NPC1LMNAPOLBRAB9AKDM4E

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207493-A Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2017-09-26 — — CN claimed
US-11844779-B2 PKC-Delta-I inhibitor formulations and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2023-12-19 — — US disclosed
US-11261185-B2 Bicyclic heterocyclic derivatives MERCK PATENT GMBH (DE) 2022-03-01 — — US disclosed
US-20210401802-A1 PKC-DELTA-I INHIBITOR FORMULATIONS AND USES THEREOF THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS OFFICE OF GENERAL COUNSEL - PSG IV (024) 2021-12-30 — — US disclosed
US-11129808-B2 PKC-delta-I inhibitor formulations and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2021-09-28 — — US disclosed
US-20210002278-A1 BICYCLIC HETEROCYCLIC DERIVATIVES MERCK PATENT GMBH (DE) 2021-01-07 — — US disclosed
US-20210002278-A1 BICYCLIC HETEROCYCLIC DERIVATIVES MERCK PATENT GMBH (DE) 2021-01-07 — — US disclosed
US-10829489-B2 Bicyclic heterocyclic derivatives MERCK PATENT GMBH (DE) 2020-11-10 — — US disclosed
US-10829489-B2 Bicyclic heterocyclic derivatives MERCK PATENT GMBH (DE) 2020-11-10 — — US disclosed
US-20200062756-A1 BICYCLIC HETEROCYCLIC DERIVATIVES MERCK PATENT GMBH (DE) 2020-02-27 — — US disclosed
WO-2017020981-A1 BICYCLIC HETEROCYCLIC DERIVATIVES MERCK PATENT GMBH (DE) 2017-02-09 — — WO disclosed
WO-2017020981-A1 BICYCLIC HETEROCYCLIC DERIVATIVES MERCK PATENT GMBH (DE) 2017-02-09 — — WO disclosed
EP-2303876-B1 DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL MYERS SQUIBB CO (US) 2014-03-19 — — EP disclosed
US-8124615-B2 Diketo substituted pyrrolo[2,3-C]pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 — — US disclosed
US-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 — — US disclosed
US-7960406-B2 Diketo substituted pyrrolo[2,3-c] pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 — — US disclosed
US-7960406-B2 Diketo substituted pyrrolo[2,3-c] pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 — — US disclosed
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 — — US disclosed
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 — — US disclosed
WO-2009158394-A1 DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-30 — — 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-20210002278-A1 BICYCLIC HETEROCYCLIC DERIVATIVES PDK1, PDK2, PDK3 VNN1 3693/4885NPC1 1821/4885LMNA 1106/4885
US-20200062756-A1 BICYCLIC HETEROCYCLIC DERIVATIVES PDK1, PDK2, PDK3 VNN1 3693/4885NPC1 1821/4885LMNA 1106/4885
US-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS DHFR, DHPS, DCK VNN1 3273/4885NPC1 3047/4885LMNA 4593/4885
US-11844779-B2 PKC-Delta-I inhibitor formulations and uses thereof PRKCA, PRKCQ, PRKCZ VNN1 3419/4885NPC1 1765/4885LMNA 873/4885
US-20210401802-A1 PKC-DELTA-I INHIBITOR FORMULATIONS AND USES THEREOF PRKCA, PRKCQ, PRKCZ VNN1 3419/4885NPC1 1765/4885LMNA 873/4885
US-11129808-B2 PKC-delta-I inhibitor formulations and uses thereof PRKCA, PRKCQ, PRKCZ VNN1 3419/4885NPC1 1765/4885LMNA 873/4885
US-10829489-B2 Bicyclic heterocyclic derivatives PDK1, PDK2, PDK3 VNN1 3693/4885NPC1 1821/4885LMNA 1106/4885
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents DHFR, DHPS, DCK VNN1 3273/4885NPC1 3047/4885LMNA 4593/4885
US-11261185-B2 Bicyclic heterocyclic derivatives PDK1, PDK2, PDK3 VNN1 3693/4885NPC1 1821/4885LMNA 1106/4885

“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.

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