SCHEMBL18487593

SCHEMBL18487593

CCn1cc(-c2ccccc2)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.65
MAPT P10636 2/20 0.50
CREBBP Q92793 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
ATR Q13535 1/20 0.48
ACSS2 Q9NR19 1/20 0.47
ACHE P22303 1/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PI4KA P42356 1/20 0.47
PIK3CG P48736 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
LRRK2 Q5S007 1/20 0.47
PDK2 Q15119 2/20 0.46
KCNH2 Q12809 1/20 0.43
PIM1 P11309 1/20 0.43

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
SCHEMBL12528608 0.85 L3MBTL1 (0.61) L3MBTL1MAPTCREBBPALDH1A1PIK3CD
SCHEMBL27662571 0.84 L3MBTL1 (0.47) L3MBTL1MAPTCREBBPALDH1A1KDM4E
SCHEMBL17809809 0.82 LRRK2 (0.64) L3MBTL1CREBBPALDH1A1KDM4ELMNA
SCHEMBL12369720 0.82 L3MBTL1 (0.65) L3MBTL1MAPTALDH1A1KDM4ELMNA
SCHEMBL21451426 0.81 PDK2 (0.51) L3MBTL1MAPTCREBBPALDH1A1KDM4E
SCHEMBL27682172 0.81 PIK3CD (0.52) L3MBTL1MAPTCREBBPALDH1A1KDM4E
SCHEMBL17870561 0.81 PIK3CD (0.48) L3MBTL1MAPTCREBBPALDH1A1KDM4E
SCHEMBL18609309 0.81 PIK3CD (0.48) L3MBTL1CREBBPACSS2PIK3CDPIK3CA
SCHEMBL1032787 0.81 PIK3CD (0.44) L3MBTL1MAPTCREBBPALDH1A1KDM4E
SCHEMBL18520179 0.81 PIK3CD (0.55) L3MBTL1MAPTCREBBPALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024086194-A1 COMBINATION THERAPY FOR TREATMENT OF CANCER Suvalent Therapeutics, Inc. (US) 2024-04-25 WO disclosed
US-20230365582-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF KANAPH THERAPEUTICS INC. (KR) 2023-11-16 US disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
WO-2017020428-A1 NOVEL COMPOUNDS FOR USE AS JAK INHIBITORS 南昌弘益科技有限公司 2017-02-09 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 (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-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 L3MBTL1 1336/4885MAPT 4656/4885CREBBP 4518/4885
US-20230365582-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF PTGER1, PTGIR, PTGDR2 L3MBTL1 4875/4885MAPT 4846/4885CREBBP 1331/4885

“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.