SCHEMBL16543492

SCHEMBL16543492

O=c1cc[nH]c2c(-n3ccnc3)cnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 4/20 0.36
▸ EGLN2 Q96KS0 1/20 0.36
▸ CYP3A4 P08684 4/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2A6 P11509 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GRIK1 P39086 1/20 0.34
▸ GRIA1 P42261 1/20 0.34
▸ GRIA2 P42262 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
SCHEMBL16535098 0.75 EGLN2 (0.40) EGLN2GRIK1GRIA1GRIA2GRIA3
SCHEMBL13153943 0.68 KDM4E (0.31) —
SCHEMBL30781520 0.68 AURKA (0.31) TDP1
SCHEMBL31710635 0.68 PLAT (0.36) LMNAMAPTALDH1A1
SCHEMBL16534837 0.66 PDE4A (0.38) EGLN2GRIK1GRIA1GRIA2GRIA3
SCHEMBL16534878 0.64 MEN1 (0.36) IDO1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL10526565 0.63 CD38 (0.45) CYP3A4CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL28812903 0.61 IDO1 (0.52) IDO1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL8332589 0.61 IDO1 (0.61) IDO1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL28663094 0.61 CYP3A4 (0.49) IDO1CYP3A4CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505767-B2 Pyrazolo[1,5-A]pyrimidin-7(4H)-onehistone demethylase inhibitors GENENTECH, INC. (US) 2016-11-29 — — US disclosed
US-9505767-B2 Pyrazolo[1,5-A]pyrimidin-7(4H)-onehistone demethylase inhibitors GENENTECH, INC. (US) 2016-11-29 — — US disclosed
WO-2015035062-A1 ANTIPROLIFERATIVE COMPOUNDS GENENTECH, INC. (US) 2015-03-12 — — WO disclosed
US-20150065522-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. 2015-03-05 — — US disclosed
US-20150065522-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. 2015-03-05 — — 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-20150065522-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM5A, KDM5B, KDM5C IDO1 1053/4885EGLN2 203/4885CYP3A4 1088/4885

“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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