SCHEMBL16615357

SCHEMBL16615357

Cc1cc(Cl)ccc1-n1cnnn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.53
F2 P00734 1/20 0.53
ALDH1A1 P00352 6/20 0.52
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PKM P14618 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
USP2 O75604 3/20 0.47
POLB P06746 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL11117017 0.82 NOTUM (0.56) NOTUMF2ALDH1A1USP2KMT2A
SCHEMBL17518817 0.82 KMT2A (0.61) NOTUMALDH1A1NPC1RAB9APKM
SCHEMBL8177591 0.79 NOTUM (0.53) NOTUMF2ALDH1A1USP2KMT2A
SCHEMBL3009848 0.79 NOTUM (0.53) NOTUMF2ALDH1A1CYP3A4USP2
SCHEMBL29958128 0.79 NOTUM (0.53) NOTUMF2ALDH1A1CYP3A4USP2
SCHEMBL23466554 0.79 NOTUM (0.53) NOTUMF2ALDH1A1CYP3A4POLB
SCHEMBL23473968 0.79 ALDH1A1 (0.52) NOTUMALDH1A1NPC1RAB9APKM
SCHEMBL24427484 0.79 POLB (0.54) NOTUMALDH1A1NPC1RAB9APKM
SCHEMBL14778436 0.79 ALDH1A1 (0.60) NOTUMALDH1A1NPC1RAB9APKM
SCHEMBL29757989 0.79 NOTUM (0.53) NOTUMF2ALDH1A1CYP3A4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD. (CN) 2022-12-06 US disclosed
EP-3998263-A1 TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2022-05-18 EP disclosed
WO-2021113698-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
WO-2021113686-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
WO-2021113682-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
WO-2021113690-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
WO-2020211781-A1 MACROCYCLIC DERIVATIVES ACTING AS XIA FACTOR INHIBITOR 南京明德新药研发有限公司 2020-10-22 WO disclosed
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-9783530-B2 Factor Xla inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-10 US disclosed
EP-2978425-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2017-09-27 EP disclosed
US-20170197953-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-07-13 US disclosed
US-20160229839-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-08-11 US disclosed
WO-2015054087-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015047973-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-02 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-20170197953-A1 FACTOR XIa INHIBITORS F11, TFPI, F2 NOTUM 959/4885F2 3/4885ALDH1A1 3470/4885
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof TFPI, TFPI2, F11 NOTUM 38/4885F2 8/4885ALDH1A1 3573/4885
US-20160229839-A1 Factor XIa Inhibitors F11, SERPINC1, TFPI NOTUM 757/4885F2 4/4885ALDH1A1 3635/4885

“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.