SCHEMBL22505755

SCHEMBL22505755

CC(C)(C)c1cc(N)n(C2CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.44
▸ MAPK13 O15264 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ HRH4 Q9H3N8 2/20 0.35
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ GRN P28799 1/20 0.33
▸ SORT1 Q99523 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TMEM97 Q5BJF2 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
SCHEMBL18693219 0.93 MAPK13 (0.46) KDM4EMAPK13MAPK12MAPK11MAPK14
SCHEMBL18694412 0.91 MAPK13 (0.48) KDM4EMAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL1013482 0.90 MAPK13 (0.47) KDM4EMAPK13MAPK12MAPK11MAPK14
SCHEMBL13860456 0.89 KDM4E (0.39) KDM4EMAPK13MAPK12MAPK11MAPK14
SCHEMBL25793180 0.89 GAA (0.50) KDM4EMAPK13MAPK12MAPK11MAPK14
SCHEMBL24007831 0.82 FPR1 (0.37) KDM4EMAPK13MAPK12MAPK11MAPK14
SCHEMBL24816330 0.82 FPR1 (0.37) KDM4EMAPK13MAPK12MAPK11MAPK14
SCHEMBL24007863 0.82 FPR1 (0.37) KDM4EMAPK13MAPK12MAPK11MAPK14
SCHEMBL31512706 0.82 LRRK2 (0.35) KDM4EGAASMN1; SMN2HPGDALDH1A1
SCHEMBL19716090 0.80 LRRK2 (0.47) GAASMN1; SMN2ALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-09-26 — — US disclosed
WO-2022178256-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-08-25 — — WO disclosed
US-10800741-B2 Quinoline compound, preparation method and medical use therefor ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2020-10-13 — — US disclosed
US-10800741-B2 Quinoline compound, preparation method and medical use therefor ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2020-10-13 — — US disclosed
CN-110049969-A Quinolines, preparation method and its medical usage 恩瑞生物医药科技(上海)有限公司 2019-07-23 — — CN 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 (2 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-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES TYMP, DPYD, PNP KDM4E 3183/4885MAPK13 2789/4885MAPK12 2799/4885
US-10800741-B2 Quinoline compound, preparation method and medical use therefor WEE2, WEE1, HASPIN KDM4E 3145/4885MAPK13 58/4885MAPK12 72/4885

“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.

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