SCHEMBL2669999

SCHEMBL2669999

CC(C)(C)c1ccc(C#N)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.52
IMPDH1 P20839 1/20 0.52
AR P10275 10/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SLC22A12 Q96S37 4/20 0.39
TSHR P16473 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.38
SLC22A11 Q9NSA0 1/20 0.38

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
SCHEMBL24617110 0.82 ESR2 (0.40) IMPDH2IMPDH1ARALDH1A1SLC22A12
SCHEMBL24617488 0.80 AR (0.43) IMPDH2IMPDH1ARSLC22A12SLC22A6
SCHEMBL7685399 0.80 ALDH1A1 (0.34) IMPDH2IMPDH1ALDH1A1TSHR
SCHEMBL151936 0.80 IMPDH2 (0.64) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL5517816 0.80 ALDH1A1 (0.48) KDM4EALDH1A1GAAMAPTTSHR
SCHEMBL29489135 0.80 IMPDH2 (0.64) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL24617494 0.78 KIF11 (0.38) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL26259653 0.78 PNMT (0.39) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL11193357 0.78 IMPDH2 (0.61) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL19961091 0.77 SLC22A12 (0.40) IMPDH2IMPDH1ARSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183191-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-15 US disclosed
US-20230183191-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-15 US disclosed
US-20220220084-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-07-14 US disclosed
EP-3275867-B1 PYRIDO-FUSED BICYCLIC COMPOUNDS AS URAT1 INHIBITORS FOR TREATING HYPERURICEMIA SHANGHAI YINGLI PHARM CO LTD (CN) 2020-06-10 EP disclosed
US-20180072678-A1 CONDENSED RING DERIVATIVE, AND PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2018-03-15 US disclosed
US-20180072678-A1 CONDENSED RING DERIVATIVE, AND PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2018-03-15 US disclosed
US-9905776-B2 Pyrene-based compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-27 US disclosed
US-9905776-B2 Pyrene-based compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-27 US disclosed
US-8809579-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2014-08-19 US disclosed
US-20140183468-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-03 US disclosed
US-7425569-B2 1H-pyrazoles useful in therapy PFIZER INC (US) 2008-09-16 US disclosed
US-20080085919-A1 1H-Pyrazoles Useful In Therapy BRADLEY PAUL A 2008-04-10 US disclosed
US-20080085919-A1 1H-Pyrazoles Useful In Therapy BRADLEY PAUL A 2008-04-10 US disclosed
US-7309712-B2 1H-pyrazoles useful in therapy PFIZER LIMITED (GB) 2007-12-18 US disclosed
US-7309712-B2 1H-pyrazoles useful in therapy PFIZER LIMITED (GB) 2007-12-18 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
WO-2007054770-A2 PYRAZOLE DERIVATIVES AND THEIR MEDICAL USE PFIZER LIMITED (GB) 2007-05-18 WO disclosed
US-20070105909-A1 Compounds useful in therapy PFIZER INC. 2007-05-10 US disclosed
US-20070105909-A1 Compounds useful in therapy PFIZER INC. 2007-05-10 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-20070105909-A1 Compounds useful in therapy GNRHR, OPRK1, CBR3 IMPDH2 4822/4885IMPDH1 4791/4885AR 468/4885
US-20080085919-A1 1H-Pyrazoles Useful In Therapy CBR3, GNRHR, RXFP3 IMPDH2 4777/4885IMPDH1 4694/4885AR 563/4885
US-20230183191-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE CNOT1, NXF1, NR2E1 IMPDH2 3651/4885IMPDH1 3520/4885AR 61/4885
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 IMPDH2 4056/4885IMPDH1 3523/4885AR 1141/4885
US-20220220084-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC APPARATUS EXOC4, CYBA, SCO2 IMPDH2 3476/4885IMPDH1 4064/4885AR 4279/4885
US-20180072678-A1 CONDENSED RING DERIVATIVE, AND PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF URB2, UGP2, NLRP3 IMPDH2 206/4885IMPDH1 166/4885AR 1977/4885

“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.