SCHEMBL22076331

SCHEMBL22076331

CCOC(=O)c1cnn2cc(Br)c(Cl)nc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
TGFBR1 P36897 3/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
CSNK1D P48730 1/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL17781177 0.87 KDM4E (0.47) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL22105282 0.86 KDM4E (0.46) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL22578630 0.86 KDM4E (0.46) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL22105272 0.85 TGFBR1 (0.48) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL22820298 0.85 KDM4E (0.45) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL28443740 0.81 KDM4E (0.36) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL29220714 0.80 ALDH1A1 (0.54) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL22857888 0.80 NPC1 (0.42) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL17781294 0.79 KDM4E (0.49) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL22820256 0.78 KDM4E (0.45) KDM4ENPC1RAB9AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113773335-B Compound serving as protein kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2024-12-03 CN disclosed
CN-111511746-B Macrocyclic compounds for the treatment of diseases 特普医药公司 2024-01-09 CN disclosed
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD (CN) 2023-07-13 US disclosed
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD (CN) 2023-07-13 US disclosed
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD (CN) 2023-07-13 US disclosed
EP-4163283-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF Scinnohub Pharmaceutical Co., Ltd (CN) 2023-04-12 EP disclosed
EP-4163283-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF Scinnohub Pharmaceutical Co., Ltd (CN) 2023-04-12 EP disclosed
EP-4151641-A1 MACROCYCLIC COMPOUNDS FOR TREATING CANCER Turning Point Therapeutics, Inc. (US) 2023-03-22 EP disclosed
CN-113754682-B Compound having macrocyclic structure and use thereof 赛诺哈勃药业(成都)有限公司 2023-01-06 CN disclosed
US-20220411439-A1 POLYMORPHS OF A MACROCYCLIC KINASE INHIBITOR Turning Point Therapeutics, Inc. 2022-12-29 US disclosed
CN-112110938-B Compound as protein kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2021-11-09 CN disclosed
US-20210087206-A1 MACROCYCLIC KINASE INHIBITORS AND THEIR USE TURNING POINT THERAPEUTICS INC (US) 2021-03-25 US disclosed
WO-2020257169-A1 POLYMORPHS OF A MACROCYCLIC KINASE INHIBITOR Turning Point Therapeutics, Inc. (US) 2020-12-24 WO disclosed
WO-2020257169-A1 POLYMORPHS OF A MACROCYCLIC KINASE INHIBITOR Turning Point Therapeutics, Inc. (US) 2020-12-24 WO disclosed
CN-112110938-A Compound as protein kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2020-12-22 CN disclosed
US-20200392160-A1 MACROCYCLIC COMPOUNDS FOR TREATING DISEASE TP THERAPEUTICS, INC. 2020-12-17 US disclosed
EP-3728271-A1 MACROCYCLIC COMPOUNDS FOR TREATING DISEASE Turning Point Therapeutics, Inc. (US) 2020-10-28 EP disclosed
EP-3728270-A1 MACROCYCLIC KINASE INHIBITORS AND THEIR USE Turning Point Therapeutics, Inc. (US) 2020-10-28 EP disclosed
US-10745416-B2 Macrocyclic compounds for treating disease Turning Point Therapeutics, Inc. (US) 2020-08-18 US disclosed
US-20200190110-A1 MACROCYCLIC COMPOUNDS FOR TREATING DISEASE Turning Point Therapeutics, Inc. (US) 2020-06-18 US 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-20220411439-A1 POLYMORPHS OF A MACROCYCLIC KINASE INHIBITOR MAP3K20, MAP3K19, MAP3K15 KDM4E 1475/4885NPC1 2516/4885RAB9A 1302/4885
US-20200392160-A1 MACROCYCLIC COMPOUNDS FOR TREATING DISEASE VHL, DLD, PC KDM4E 3114/4885NPC1 8/4885RAB9A 1598/4885
US-20200190110-A1 MACROCYCLIC COMPOUNDS FOR TREATING DISEASE VHL, DLD, PC KDM4E 3114/4885NPC1 8/4885RAB9A 1598/4885
US-10745416-B2 Macrocyclic compounds for treating disease VHL, DLD, PC KDM4E 3114/4885NPC1 8/4885RAB9A 1598/4885
US-20210087206-A1 MACROCYCLIC KINASE INHIBITORS AND THEIR USE MAP3K20, LCK, MAP3K1 KDM4E 1234/4885NPC1 3113/4885RAB9A 1751/4885
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF BTK, SRC, YES1 KDM4E 1626/4885NPC1 3462/4885RAB9A 1057/4885

“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.