SCHEMBL10310256

SCHEMBL10310256

CCc1ccc(CCNC(=N)N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ST14 Q9Y5Y6 2/20 0.49
▸ IDO1 P14902 3/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ F13A1 P00488 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39

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
SCHEMBL18401402 0.89 ST14 (0.49) ST14IDO1L3MBTL1KDM4EF13A1
SCHEMBL19361317 0.85 ALDH1A1 (0.49) ST14SMN1; SMN2KDM4ELMNACA1
SCHEMBL10310202 0.85 NPC1 (0.51) ST14IDO1TAAR1SMN1; SMN2LMNA
SCHEMBL12401907 0.84 ST14 (0.51) ST14IDO1TAAR1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL28128848 0.83 IDO1 (0.50) ST14IDO1TAAR1SMN1; SMN2LMNA
SCHEMBL6682640 0.82 ST14 (0.50) ST14IDO1TAAR1SMN1; SMN2KDM4E
SCHEMBL6679010 0.82 ST14 (0.50) ST14IDO1KDM4EF13A1PLAU
SCHEMBL1286912 0.82 KDM4E (0.56) ST14IDO1TAAR1L3MBTL1SMN1; SMN2
SCHEMBL23135379 0.82 ADRA2A (0.45) ST14IDO1KDM4EF13A1LMNA
SCHEMBL26005420 0.81 ST14 (0.46) ST14IDO1SMN1; SMN2KDM4EF13A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799684-B1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARM INC (US) 2014-12-03 — — EP disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 — — US disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 — — US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 — — US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 — — US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 — — US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 — — 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 (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-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 ST14 1421/4885IDO1 3282/4885TAAR1 4813/4885
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 ST14 1421/4885IDO1 3282/4885TAAR1 4813/4885

“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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