SCHEMBL13060991

SCHEMBL13060991

C=Nc1cc(C)ccc1NC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ RAPGEF4 Q8WZA2 2/20 0.35
▸ CYP1A2 P05177 3/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ATM Q13315 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
SCHEMBL22791425 0.85 GAA (0.37) HPGDGAARAPGEF4CYP1A2CYP2C9
SCHEMBL12953268 0.82 TDP1 (0.37) HPGDGAARAPGEF4CYP1A2CYP2C9
SCHEMBL5703629 0.81 KIF11 (0.32) NPC1RAB9AMAPT
SCHEMBL8000704 0.79 HPGD (0.37) HPGDGAARAPGEF4CYP1A2CYP2C9
SCHEMBL9706128 0.79 HPGD (0.41) HPGDGAARAPGEF4CYP1A2CYP2C9
SCHEMBL25957468 0.78 SIGMAR1 (0.37) GAASMN1; SMN2RAB9AMAPTMEN1
SCHEMBL18698222 0.78 SIGMAR1 (0.37) GAACYP1A2CYP2C9CYP2C19TDP1
SCHEMBL12889181 0.77 HPGD (0.45) HPGDGAARAPGEF4CYP1A2CYP2C9
SCHEMBL12953238 0.73 PNMT (0.33) CYP3A4SMN1; SMN2ALDH1A1CYP2A6
SCHEMBL8521796 0.71 POLB (0.43) HPGDGAATDP1ALOX15SMN1; SMN2

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
EP-4085059-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE HK LTD (HK) 2024-03-20 — — EP disclosed
EP-3950685-A1 PYRAZOLOPYRIDINE COMPOUND AS RET INHIBITOR AND APPLICATION THEREOF Guangzhou Baiyunshan Pharmaceutical Holdings Co., Ltd. Baiyunshan Pharmaceutical General Factory (CN) 2022-02-09 — — EP disclosed
US-9809576-B1 Synthetic route to anti-viral agents ABBVIE INC. (US) 2017-11-07 — — US disclosed
US-20100317663-A1 ANILINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2010-12-16 — — 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-20100317663-A1 ANILINOPYRIDINES AS INHIBITORS OF FAK PTK2, JAK2, SRC HPGD 4168/4885GAA 3113/4885RAPGEF4 91/4885

“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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