SCHEMBL11079263

SCHEMBL11079263

CC(Cn1ccnc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.58
QPCT Q16769 3/20 0.52
POLB P06746 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
TBXAS1 P24557 1/20 0.51
CYP4Z1 Q86W10 1/20 0.51
QPCTL Q9NXS2 1/20 0.51
HMOX2 P30519 1/20 0.51

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
SCHEMBL10652258 0.84 CYP19A1 (0.69) CYP19A1QPCTPOLBCYP1A2CYP3A4
SCHEMBL19368186 0.83 CYP19A1 (0.55) CYP19A1QPCTPOLBCYP1A2CYP3A4
SCHEMBL9373635 0.81 CYP19A1 (0.60) CYP19A1QPCTPOLBCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11083585 0.80 CYP19A1 (0.51) CYP19A1QPCTPOLBCYP1A2CYP3A4
SCHEMBL3670452 0.79 CYP19A1 (0.58) CYP19A1QPCTPOLBCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11612301 0.79 CYP19A1 (0.58) CYP19A1QPCTPOLBCYP1A2CYP3A4
SCHEMBL27203260 0.79 CYP19A1 (0.58) CYP19A1QPCTPOLBCYP1A2CYP3A4
SCHEMBL6173273 0.79 CYP19A1 (0.71) CYP19A1HMOX2
SCHEMBL6299346 0.79 CYP19A1 (0.71) CYP19A1HMOX2
SCHEMBL11698569 0.79 CYP19A1 (0.58) CYP19A1QPCTPOLBCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113637964-A Preparation method of anti-oxidation treatment fluid for end face of battery copper foil 新疆亿日铜箔科技股份有限公司 2021-11-12 CN claimed
CN-113637964-A Preparation method of anti-oxidation treatment fluid for end face of battery copper foil 新疆亿日铜箔科技股份有限公司 2021-11-12 CN disclosed
CN-113637964-A Preparation method of anti-oxidation treatment fluid for end face of battery copper foil 新疆亿日铜箔科技股份有限公司 2021-11-12 CN disclosed
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
US-4431815-A CARDIOTONIC AND ANTISHOCK AGENTS; ANTICOAGULANTS BURROUGHS WELLCOME CO. (US) 1984-02-14 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-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 CYP19A1 375/4885QPCT 2363/4885POLB 3771/4885

“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.