SCHEMBL20116648

SCHEMBL20116648

Cc1nn(C)c2cc(C#N)cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
HPGDS O60760 2/20 0.39
HRH4 Q9H3N8 2/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.36
PTGER4 P35408 1/20 0.35
CYP11B2 P19099 1/20 0.35
EGLN2 Q96KS0 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
NR3C1 P04150 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CACNA1H O95180 1/20 0.33
CDC7 O00311 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL20117306 0.80 ADORA2A (0.47) ADORA2AADORA2BHRH4KDM4EALDH1A1
SCHEMBL17674371 0.75 HSD17B10 (0.43) ADORA2AADORA2BHRH4KDM4EALDH1A1
SCHEMBL27259309 0.75 ADORA2A (0.42) ADORA2AADORA2BKDM4EALDH1A1PDE4A
SCHEMBL30506328 0.75 HSD17B10 (0.43) ADORA2AADORA2BHRH4KDM4EALDH1A1
SCHEMBL14752675 0.72 ADORA2A (0.53) ADORA2AADORA2BALDH1A1CYP11B2NR3C1
SCHEMBL11976902 0.72 SLC22A12 (0.64)
SCHEMBL17678134 0.71 ADORA2A (0.39) ADORA2AADORA2BKDM4EALDH1A1
SCHEMBL5363077 0.71 ADORA2A (0.41) ADORA2AADORA2B
SCHEMBL31752124 0.70 HPGDS (0.41) HPGDSHRH4KDM4EALDH1A1L3MBTL1
Ammonia Solution, Strong SCHEMBL29161534 0.69 ADORA2A (0.39) ADORA2AADORA2B

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-12275723-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2025-04-15 US disclosed
US-20240400546-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-12-05 US disclosed
US-20240300938-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-09-12 US disclosed
US-11970486-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-04-30 US disclosed
US-20240124435-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-04-18 US disclosed
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
EP-3529245-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2019-08-28 EP disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 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 (7 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-20240124435-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ADORA2A 687/4885ADORA2B 391/4885HPGDS 1875/4885
US-20240300938-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ADORA2A 687/4885ADORA2B 391/4885HPGDS 1875/4885
US-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 ADORA2A 687/4885ADORA2B 391/4885HPGDS 1875/4885
US-20240400546-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ADORA2A 687/4885ADORA2B 391/4885HPGDS 1875/4885
US-12275723-B2 Compounds and uses thereof NLN, ACHE, CLN6 ADORA2A 687/4885ADORA2B 391/4885HPGDS 1875/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ADORA2A 687/4885ADORA2B 391/4885HPGDS 1875/4885
US-11970486-B2 Compounds and uses thereof NLN, ACHE, CLN6 ADORA2A 687/4885ADORA2B 391/4885HPGDS 1875/4885

“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.