SCHEMBL613838

SCHEMBL613838

Cc1nn(C)c2cc(F)cc(F)c12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
PDE10A Q9Y233 6/20 0.36
PDE2A O00408 3/20 0.36
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
THRB P10828 1/20 0.33
MAPT P10636 4/20 0.32
LMNA P02545 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
NMT1 P30419 1/20 0.32
MAPK8 P45983 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK9 P45984 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL30480710 1.00 ADORA2A (0.45) ADORA2AADORA2BPDE10APDE2APDK1
SCHEMBL13106184 0.83 ADORA2A (0.41) ADORA2AADORA2BPDE10APDE2AMAPT
SCHEMBL31582764 0.83 ADORA2A (0.41) ADORA2AADORA2BPDE10APDE2AMAPT
SCHEMBL2143901 0.81 ADORA2A (0.47) ADORA2AADORA2BPDE10AMAPTLMNA
SCHEMBL31559591 0.81 ADORA2A (0.47) ADORA2AADORA2BPDE10AMAPTLMNA
SCHEMBL29324204 0.78 PDK1 (0.36) PDK1PDK2LMNAKDM4E
SCHEMBL12352528 0.77 ADORA2A (0.42) ADORA2AADORA2BPDE10AMAPTLMNA
SCHEMBL29324494 0.77 PDK1 (0.33) PDK1PDK2MAPTKDM4EALDH1A1
SCHEMBL1163903 0.77 PDK1 (0.31) PDE10APDK1PDK2
SCHEMBL23872146 0.75 PDK1 (0.43) PDK1PDK2MAPTKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
CN-107973809-B Macrocyclic compounds as factor XIA inhibitors 百时美施贵宝公司 2023-06-30 CN disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
EP-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 EP disclosed
EP-2534154-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP disclosed
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB (US) 2020-03-19 US disclosed
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
US-9802939-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 US disclosed
US-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-23 US disclosed
US-8940720-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
EP-2534154-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
WO-2011100401-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO disclosed
US-7812045-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-10-12 US disclosed
US-20080194661-A1 Antifungal Triazole Derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-08-14 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 (8 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-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ADORA2A 4703/4885ADORA2B 4016/4885PDE10A 3140/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ADORA2A 4703/4885ADORA2B 4016/4885PDE10A 3140/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ADORA2A 4703/4885ADORA2B 4016/4885PDE10A 3140/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 ADORA2A 4703/4885ADORA2B 4016/4885PDE10A 3140/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 ADORA2A 4703/4885ADORA2B 4016/4885PDE10A 3140/4885
US-20080194661-A1 Antifungal Triazole Derivatives ERG28, CYP51A1, CYP3A43 ADORA2A 3466/4885ADORA2B 3798/4885PDE10A 2895/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ADORA2A 4703/4885ADORA2B 4016/4885PDE10A 3140/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ADORA2A 4703/4885ADORA2B 4016/4885PDE10A 3140/4885

“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.