SCHEMBL10310288

SCHEMBL10310288

CN(C)C(=O)c1ccc(NC(=N)N)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.50
▸ PRSS1 P07477 1/20 0.50
▸ PRSS2 P07478 1/20 0.50
▸ PRSS3 P35030 1/20 0.50
▸ TMPRSS6 Q8IU80 1/20 0.50
▸ ST14 Q9Y5Y6 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ HPGD P15428 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ FLT3 P36888 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ F9 P00740 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL11308053 0.87 KMT2A (0.50) F2PRSS1PRSS2PRSS3SMN1; SMN2
SCHEMBL11304151 0.83 ACR (0.48) F2PRSS1SMN1; SMN2HPGDALDH1A1
SCHEMBL6931409 0.79 MAPT (0.56) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL15124764 0.79 HTT (0.53) SMN1; SMN2HTTHPGDALDH1A1RXFP1
SCHEMBL1999045 0.79 F2 (0.59) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL24891830 0.77 KMT2A (0.64) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL1782141 0.77 SMN1; SMN2 (0.53) SMN1; SMN2HTTHPGDALDH1A1RXFP1
SCHEMBL7913893 0.77 F2 (0.57) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7922546 0.77 F2 (0.57) F2PRSS1PRSS2PRSS3TMPRSS6
4-Guanidino-Benzoic Acid SCHEMBL211005 0.77 F2 (0.57) F2PRSS1PRSS2PRSS3TMPRSS6

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 8 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-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 — — 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 (3 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 F2 2848/4885PRSS1 983/4885PRSS2 1824/4885
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 F2 2848/4885PRSS1 983/4885PRSS2 1824/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 F2 2848/4885PRSS1 983/4885PRSS2 1824/4885

“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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