SCHEMBL10078326

SCHEMBL10078326

Cc1cc2ccnc(C)c2cn1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.50
▸ CYP1A2 P05177 1/20 0.47
▸ UHRF1 Q96T88 2/20 0.41
▸ IL5 P05113 1/20 0.41
▸ WNT3A P56704 9/20 0.37
▸ PDE3B Q13370 3/20 0.35
▸ PDE3A Q14432 3/20 0.35
▸ CCR1 P32246 1/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ CCR8 P51685 1/20 0.34

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
SCHEMBL17532781 0.85 CYP2A6 (0.41) CYP2A6CYP1A2UHRF1IL5WNT3A
SCHEMBL17532792 0.85 CYP2A6 (0.41) CYP2A6CYP1A2UHRF1IL5WNT3A
SCHEMBL18266952 0.83 CYP2A6 (0.50) CYP2A6CYP1A2UHRF1WNT3APDE3B
SCHEMBL19044339 0.80 CYP2A6 (0.47) CYP2A6UHRF1WNT3APDE3BPDE3A
SCHEMBL19497082 0.80 CYP2A6 (0.44) CYP2A6CYP1A2UHRF1IL5WNT3A
SCHEMBL14908371 0.80 ROCK1 (0.47) CYP2A6CYP1A2UHRF1IL5
SCHEMBL17051661 0.80 CYP1A2 (0.56) CYP2A6CYP1A2UHRF1IL5CCR1
SCHEMBL13455997 0.77 CYP2A6 (0.44) CYP2A6PDE3BPDE3A
SCHEMBL17532791 0.76 MAPK10 (0.45) CYP2A6CYP1A2IL5WNT3A
SCHEMBL21133778 0.74 CYP2A6 (0.54) CYP2A6CYP1A2UHRF1PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4393916-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-07-03 — — EP disclosed
WO-2021254493-A1 CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF 上海翊石医药科技有限公司 2021-12-23 — — WO disclosed
US-20170312277-A1 Compounds for Treatment of Fibrosis Diseases CUREGENIX, INC. (CN) 2017-11-02 — — US disclosed
EP-2861590-B1 COMPOUND AS WNT SIGNALING INHIBITOR, COMPOSITION, AND USE THEREOF CUREGENIX INC (CN) 2017-10-25 — — EP disclosed
US-9744169-B2 Compounds for treatment of fibrosis diseases CUREGENIX, INC. (CN) 2017-08-29 — — US disclosed
US-9713612-B2 Compounds for treatment of cancer CUREGENIX, INC. (CN) 2017-07-25 — — US disclosed
US-20170073344-A1 Compound as WNT Signaling Inhibitor, Composition, and Use Thereof CUREGENIX, INC. (CN) 2017-03-16 — — US disclosed
US-9556144-B2 Compound as WNT signaling inhibitor, composition, and use thereof CUREGENIX, INC. (CN) 2017-01-31 — — US disclosed
US-20160351817-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-01 — — US disclosed
US-20160000779-A1 Compounds for Treatment of Fibrosis Diseases CUREGENIX, INC. (CN) 2016-01-07 — — US disclosed
US-20160000780-A1 Compounds for Treatment of Cancer CUREGENIX, INC. (CN) 2016-01-07 — — US disclosed
US-20150119387-A1 Compound as WNT Signaling Inhibitor, Composition, and Use Thereof CUREGENIX INC. (CN) 2015-04-30 — — US disclosed
US-8168645-B2 Arylsulfonamide compounds GENENTECH, INC. (US) 2012-05-01 — — US disclosed
US-20100056517-A1 ARYLSULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2010-03-04 — — 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 (6 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-20160000779-A1 Compounds for Treatment of Fibrosis Diseases WNT1, WNT3A, WNT3 CYP2A6 2832/4885CYP1A2 2556/4885UHRF1 2121/4885
US-20170073344-A1 Compound as WNT Signaling Inhibitor, Composition, and Use Thereof WNT1, WNT3A, SFRP1 CYP2A6 2155/4885CYP1A2 2257/4885UHRF1 1442/4885
US-20100056517-A1 ARYLSULFONAMIDE COMPOUNDS BCL2A1, BCL2, BAX CYP2A6 1807/4885CYP1A2 3124/4885UHRF1 3120/4885
US-20170312277-A1 Compounds for Treatment of Fibrosis Diseases WNT1, SFRP1, WNT3 CYP2A6 3064/4885CYP1A2 2948/4885UHRF1 2069/4885
US-20150119387-A1 Compound as WNT Signaling Inhibitor, Composition, and Use Thereof WNT1, WNT3A, SFRP1 CYP2A6 2280/4885CYP1A2 2408/4885UHRF1 1435/4885
US-20160000780-A1 Compounds for Treatment of Cancer WNT1, CTNNB1, WNT3 CYP2A6 3334/4885CYP1A2 3506/4885UHRF1 841/4885

“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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