SCHEMBL16534892

SCHEMBL16534892

Nc1[nH]ncc1-c1cnn(-c2ccccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.55
▸ LMNA P02545 1/20 0.50
▸ GRM5 P41594 1/20 0.47
▸ ALKBH2 Q6NS38 1/20 0.45
▸ EGLN1 Q9GZT9 1/20 0.45
▸ TGFBR1 P36897 3/20 0.40
▸ ACVR1B P36896 2/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ TYK2 P29597 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38

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
SCHEMBL5216821 0.74 GRM4 (0.60) GRM4GRM5ALKBH2EGLN1DRD2
SCHEMBL2159890 0.73 ALKBH2 (0.57) GRM4GRM5ALKBH2EGLN1JAK2
SCHEMBL5216552 0.72 GRM4 (0.69) GRM4GRM5ALKBH2EGLN1DRD2
SCHEMBL5219316 0.71 GRM5 (0.61) GRM4GRM5ALKBH2EGLN1DRD2
SCHEMBL30796163 0.71 GRM5 (0.61) GRM4GRM5ALKBH2EGLN1DRD2
SCHEMBL22834283 0.71 MAPT (0.36) GRM4LMNAJAK2JAK1TYK2
SCHEMBL5216817 0.70 GRM4 (0.87) GRM4GRM5ALKBH2EGLN1
SCHEMBL22736505 0.70 GRM4 (0.58) GRM4GRM5ALKBH2EGLN1DRD2
SCHEMBL31158292 0.70 GRM4 (0.58) GRM4GRM5ALKBH2EGLN1DRD2
SCHEMBL5669713 0.70 GRM5 (0.71) GRM4GRM5ALKBH2EGLN1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041474-B1 ANTIPROLIFERATIVE COMPOUNDS GENENTECH INC (US) 2020-03-18 — — EP disclosed
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
US-9505767-B2 Pyrazolo[1,5-A]pyrimidin-7(4H)-onehistone demethylase inhibitors GENENTECH, INC. (US) 2016-11-29 — — US disclosed
EP-3041474-A1 ANTIPROLIFERATIVE COMPOUNDS Genentech, Inc. (US) 2016-07-13 — — EP disclosed
WO-2015035062-A1 ANTIPROLIFERATIVE COMPOUNDS GENENTECH, INC. (US) 2015-03-12 — — WO 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
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 GRM4 1580/4885LMNA 2333/4885GRM5 227/4885

“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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