SCHEMBL2236358

SCHEMBL2236358

O=C(NC1CC1)c1c[c]ccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.51
RAB9A P51151 8/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.47
SMYD3 Q9H7B4 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GFER P55789 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL20797095 0.93 L3MBTL1 (0.51) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL161742 0.93 L3MBTL1 (0.55) NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL1601556 0.92 RAB9A (0.56) NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL1600254 0.84 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2156713 0.78 RAB9A (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL124395 0.77 NPC1 (0.79) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2230140 0.77 NPC1 (0.79) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6159654 0.76 HDAC6 (0.56) KDM4EHSD17B10
Bicarbonate SCHEMBL11025569 0.76 NPC1 (0.76) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL27945424 0.76 NPC1 (0.76) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3141552-B1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM IND CO LTD (KR) 2019-04-17 EP claimed
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US claimed
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2018-10-30 US claimed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP claimed
CN-108419435-A Compound and epigenetics for treating cancer 新加坡科技研究局 2018-08-17 CN claimed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO claimed
EP-3141552-A1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2017-03-15 EP claimed
US-9187486-B2 Bicyclic pyridazine compounds as Pim inhibitors AMGEN INC. (US) 2015-11-17 US claimed
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US claimed
US-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors AMGEN INC. 2014-08-07 US claimed
EP-2702063-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-03-05 EP claimed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US claimed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP claimed
EP-2528920-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2012-12-05 EP claimed
US-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-29 US claimed
WO-2012148775-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-11-01 WO claimed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO claimed
WO-2011093672-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM. CO., LTD. (KR) 2011-08-04 WO claimed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
WO-2003082294-A1 MORPHOLINE DERIVATIVES WITH A SUBSTITUTED ACETAMIDE GROUP IN THE 2-POSITION FOR USE AS CCR-3 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-10-09 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 (6 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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 NPC1 2706/4885RAB9A 808/4885SMN1; SMN2 1700/4885
US-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE CDK2, SBK3, CDK2AP1 NPC1 1206/4885RAB9A 1661/4885SMN1; SMN2 3500/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 NPC1 1864/4885RAB9A 1836/4885SMN1; SMN2 3900/4885
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase CDK2, SBK3, CDK2AP1 NPC1 1206/4885RAB9A 1661/4885SMN1; SMN2 3500/4885
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS PIM1, PIM2, PIM3 NPC1 1470/4885RAB9A 3723/4885SMN1; SMN2 4085/4885
US-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors PIM1, PIM2, PIM3 NPC1 2665/4885RAB9A 4537/4885SMN1; SMN2 3773/4885

“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.