SCHEMBL6683148

SCHEMBL6683148

Cc1cc2cc(CN)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.58
▸ KEAP1 Q14145 1/20 0.58
▸ MAPT P10636 9/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ LMNA P02545 2/20 0.53
▸ HTT P42858 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ AXL P30530 1/20 0.50
▸ LOXL2 Q9Y4K0 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ PKM P14618 1/20 0.46

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
SCHEMBL29673249 1.00 CYP2A6 (0.58) CYP2A6KEAP1MAPTALDH1A1KDM4E
SCHEMBL12804116 0.87 CYP2A6 (0.44) CYP2A6KEAP1MAPTALDH1A1KDM4E
SCHEMBL8999779 0.82 MAPT (0.57) CYP2A6KEAP1MAPTALDH1A1KDM4E
SCHEMBL12452461 0.81 MAPT (0.59) CYP2A6KEAP1MAPTALDH1A1KDM4E
SCHEMBL14629866 0.81 MAPT (0.55) CYP2A6KEAP1MAPTALDH1A1KDM4E
SCHEMBL21214072 0.80 GAA (0.42) CYP2A6KEAP1MAPTALDH1A1KDM4E
SCHEMBL23278441 0.79 MAPT (0.57) CYP2A6KEAP1MAPTALDH1A1KDM4E
SCHEMBL25629589 0.79 BRD4 (0.54) MAPTALDH1A1KDM4EHTTTDP1
SCHEMBL14310813 0.79 MAPT (0.57) CYP2A6KEAP1MAPTALDH1A1KDM4E
SCHEMBL9414402 0.78 MAPT (0.53) CYP2A6KEAP1MAPTALDH1A1KDM4E

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 — — US claimed
WO-2012131031-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2012-10-04 — — WO claimed
US-12606541-B2 PPARg modulators and methods of use EISAI R&D MANAGEMENT CO., LTD. (JP) 2026-04-21 — — US disclosed
EP-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 — — EP disclosed
EP-3820869-B1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT (HU) 2023-08-30 — — EP disclosed
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-03-02 — — US disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — WO disclosed
EP-3305778-B1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-19 — — EP disclosed
US-20210330650-A1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2021-10-28 — — US disclosed
US-20210330650-A1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2021-10-28 — — US disclosed
EP-3475277-B1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-10-20 — — EP disclosed
US-20130158019-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-06-20 — — US disclosed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 — — US disclosed
WO-2012131031-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2012-10-04 — — WO disclosed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 — — US disclosed
WO-2012131031-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2012-10-04 — — WO disclosed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 — — US disclosed
WO-2011143033-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2011-11-17 — — WO disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 — — WO disclosed
WO-2004004730-A2 2-AMINOPYRAZINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 — — 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 (5 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-20130158019-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE DCK, DTYMK, TYMS CYP2A6 2257/4885KEAP1 1732/4885MAPT 2714/4885
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE PPARG, PPARA, PPARD CYP2A6 159/4885KEAP1 3653/4885MAPT 4736/4885
US-20210330650-A1 SPIROCHROMANE DERIVATIVES CHRNA7, CHRM3, ADRB3 CYP2A6 425/4885KEAP1 1782/4885MAPT 1498/4885
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA2 CYP2A6 3369/4885KEAP1 2164/4885MAPT 734/4885
US-12606541-B2 PPARg modulators and methods of use PPARG, PPARA, PPARD CYP2A6 126/4885KEAP1 1980/4885MAPT 4826/4885

“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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