SCHEMBL2128369

SCHEMBL2128369

O=c1ncc2c[nH]nc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TYRO3 Q06418 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32

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
SCHEMBL30134238 0.71 ATAD2 (0.30) —
SCHEMBL19153397 0.68 KDM4E (0.41) —
SCHEMBL30375316 0.67 EGFR (0.33) —
SCHEMBL25462861 0.67 PDK2 (0.39) —
SCHEMBL1270307 0.67 EGFR (0.33) —
SCHEMBL29486398 0.65 DAO (0.56) —
SCHEMBL29486393 0.65 DAO (0.56) —
SCHEMBL747250 0.65 DAO (0.56) —
SCHEMBL8208498 0.65 — —
SCHEMBL31210501 0.64 MAPK1 (0.36) TYRO3DYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367431-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2015-08-05 — — EP disclosed
US-20140315868-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2014-10-23 — — US disclosed
US-20140315868-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2014-10-23 — — US disclosed
US-8697710-B2 Optionally substituted 3-amino-4-(thioxo or imino)-4,5-dihydro-2H-pyrazolo [3,4-d]pyrimidin-6(7H)-ones INTRA-CELLULAR THERAPIES, INC. (US) 2014-04-15 — — US disclosed
US-8697710-B2 Optionally substituted 3-amino-4-(thioxo or imino)-4,5-dihydro-2H-pyrazolo [3,4-d]pyrimidin-6(7H)-ones INTRA-CELLULAR THERAPIES, INC. (US) 2014-04-15 — — US disclosed
US-20120094966-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2012-04-19 — — US disclosed
US-20120094966-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2012-04-19 — — US disclosed
CN-102223799-A Organic compounds INTRA CELLULAR THERAPIES INC 2011-10-19 — — CN disclosed
EP-2367431-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2011-09-28 — — EP disclosed
EP-2367431-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2011-09-28 — — EP disclosed
WO-2010065153-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-06-10 — — 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 (2 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-20140315868-A1 ORGANIC COMPOUNDS TPMT, CYP4X1, P2RX4 TYRO3 319/4885DYRK1B 3446/4885
US-20120094966-A1 ORGANIC COMPOUNDS TPMT, CYP4X1, P2RX4 TYRO3 319/4885DYRK1B 3446/4885

“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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