SCHEMBL8535385

SCHEMBL8535385

CNc1ncnc(NC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.38
GRM5 P41594 1/20 0.37
PDE4A P27815 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
PDPK1 O15530 1/20 0.32

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
SCHEMBL27828669 0.87 GAA (0.46) EGFRGRM5LMNAGAARAB9A
SCHEMBL18067375 0.85 ALDH1A1 (0.41) EGFRGRM5GAACA1CA2
SCHEMBL14606528 0.84
SCHEMBL9066979 0.83 LMNA (0.45) CYP1A2CYP2C19LMNAGAAHTT
SCHEMBL10781217 0.82
SCHEMBL374336 0.82
SCHEMBL6987146 0.82
SCHEMBL18757540 0.78 CXCR4 (0.41) CYP1A2CA1CA2CA9
SCHEMBL23028717 0.78 OPRM1 (0.39) EGFRPDE4ACYP1A2LMNAGAA
SCHEMBL14572429 0.78 EGFR (0.32) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117298331-A Modified trehalose-based hydrogel for wound repair 上海迪派生物科技有限公司 2023-12-29 CN claimed
CN-117298331-A Modified trehalose-based hydrogel for wound repair 上海迪派生物科技有限公司 2023-12-29 CN disclosed
CN-116745289-A Agonists of free fatty acid receptor 1 and their use in diseases associated with said receptor 奥洛治疗有限公司 2023-09-12 CN disclosed
US-11034797-B2 Polyimide precursor composition, use thereof and polyimide made therefrom ETERNAL MATERIALS CO., LTD. (TW) 2021-06-15 US disclosed
US-20210079161-A1 POLYIMIDE PRECURSOR COMPOSITION, USE THEREOF AND POLYIMIDE MADE THEREFROM ETERNAL MATERIALS CO., LTD. (TW) 2021-03-18 US disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US disclosed
US-5854244-A Melamine derivatives for use in the treatment of cancer CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-12-29 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 (1 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-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 EGFR 3040/4885GRM5 4333/4885PDE4A 2941/4885

“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.