Sugi Predict

Sugi Predict / Compounds / SCHEMBL1993783

SCHEMBL1993783

SCHEMBL1993783

O=Cc1cn(-c2ccc(-n3ccccc3=O)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NLRP3 Q96P20 1/20 0.34
▸ F10 P00742 9/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL27749289 0.84 EP300 (0.37) ALDH1A1F10KDM4ECYP1A2HPGD
SCHEMBL7563959 0.81 P2RX7 (0.50) ATMALDH1A1P2RX7NPC1RAB9A
SCHEMBL4686939 0.76 ALDH1A1 (0.49) ATMALDH1A1F10KDM4E
SCHEMBL1277916 0.75 PDE3B (0.49) NPC1RAB9ANLRP3F10
SCHEMBL1277385 0.75 CPB2 (0.41) NPC1RAB9ANLRP3F10
SCHEMBL11765378 0.74 CYP2A6 (0.42) ALDH1A1P2RX7NPC1RAB9ANLRP3
SCHEMBL14701629 0.74 ALDH1A1 (0.37) ALDH1A1P2RX7NPC1RAB9ANLRP3
SCHEMBL29691089 0.74 NPC1 (0.50) ALDH1A1P2RX7NPC1RAB9ANLRP3
SCHEMBL16043335 0.74 MAP4K4 (0.46) NPC1RAB9ANLRP3HSD17B10
Hydrochloric Acid SCHEMBL1277342 0.74 CPB2 (0.41) NPC1RAB9ANLRP3F10

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513094-B1 CRYSTALLINE SALTS OF A FACTOR XA INHIBITOR MILLENNIUM PHARM INC (US) 2015-12-16 — — EP disclosed
EP-2513094-B1 CRYSTALLINE SALTS OF A FACTOR XA INHIBITOR MILLENNIUM PHARM INC (US) 2015-12-16 — — EP disclosed
US-8742120-B2 Methods of preparing factor xa inhibitors and salts thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-06-03 — — US disclosed
US-8742120-B2 Methods of preparing factor xa inhibitors and salts thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-06-03 — — US disclosed
US-8742120-B2 Methods of preparing factor xa inhibitors and salts thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-06-03 — — US disclosed
US-8530501-B2 Salts and crystalline forms of a factor Xa inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-09-10 — — US disclosed
US-8530501-B2 Salts and crystalline forms of a factor Xa inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-09-10 — — US disclosed
US-8530501-B2 Salts and crystalline forms of a factor Xa inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-09-10 — — US disclosed
CN-102762550-A Salts and crystalline forms of a factor xa inhibitor MILLENNIUM PHARM INC 2012-10-31 — — CN disclosed
US-20110178135-A1 SALTS AND CRYSTALLINE FORMS OF A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. 2011-07-21 — — US disclosed
WO-2011084652-A2 SALTS AND CRYSTALLINE FORMS OF A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-07-14 — — WO disclosed
WO-2011084653-A1 CRYSTALLINE FORMS OF THE MESYLATE SALT OF A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-07-14 — — WO disclosed
US-20110160250-A1 CRYSTALLINE FORMS OF A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. 2011-06-30 — — US disclosed
US-20110160250-A1 CRYSTALLINE FORMS OF A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. 2011-06-30 — — US disclosed
US-20110160250-A1 CRYSTALLINE FORMS OF A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. 2011-06-30 — — US disclosed
WO-2011075602-A1 METHODS OF PREPARING FACTOR XA INHIBITORS AND SALTS THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-23 — — WO disclosed
WO-2011075602-A1 METHODS OF PREPARING FACTOR XA INHIBITORS AND SALTS THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-23 — — WO disclosed
US-20110152530-A1 METHODS OF PREPARING FACTOR XA INHIBITORS AND SALTS THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2011-06-23 — — US disclosed
US-20110152530-A1 METHODS OF PREPARING FACTOR XA INHIBITORS AND SALTS THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2011-06-23 — — US disclosed
US-20110152530-A1 METHODS OF PREPARING FACTOR XA INHIBITORS AND SALTS THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2011-06-23 — — 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-20110160250-A1 CRYSTALLINE FORMS OF A FACTOR XA INHIBITOR F12, SERPINC1, F11 ATM 3247/4885ALDH1A1 3310/4885P2RX7 1005/4885
US-20110152530-A1 METHODS OF PREPARING FACTOR XA INHIBITORS AND SALTS THEREOF F12, TFPI, F11 ATM 3443/4885ALDH1A1 2215/4885P2RX7 1179/4885
US-20110178135-A1 SALTS AND CRYSTALLINE FORMS OF A FACTOR XA INHIBITOR F12, SERPINC1, F9 ATM 3183/4885ALDH1A1 3782/4885P2RX7 843/4885

“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.