Sugi Predict

Sugi Predict / Compounds / SCHEMBL5544744

SCHEMBL5544744

SCHEMBL5544744

Cc1ccc(-c2ccnc(N)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.65
▸ NOS3 P29474 3/20 0.59
▸ NOS1 P29475 3/20 0.59
▸ NOS2 P35228 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ MKNK1 Q9BUB5 1/20 0.58
▸ MKNK2 Q9HBH9 1/20 0.58
▸ AAK1 Q2M2I8 1/20 0.49
▸ PDPK1 O15530 1/20 0.49
▸ KHK P50053 2/20 0.47
▸ CIT O14578 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ FDPS P14324 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ TLR9 Q9NR96 1/20 0.43
▸ TLR8 Q9NR97 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.43
▸ S1PR1 P21453 1/20 0.43

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
SCHEMBL30337203 0.89 DYRK1A (0.70) DYRK1ANOS3NOS1NOS2MEN1
SCHEMBL30935767 0.84 DYRK1A (0.63) DYRK1ANOS3NOS1NOS2MEN1
SCHEMBL4402187 0.84 DYRK1A (0.63) DYRK1ANOS3NOS1NOS2MEN1
SCHEMBL15649966 0.83 DYRK1A (0.63) DYRK1ANOS3NOS1NOS2MEN1
Hydrochloric Acid SCHEMBL10461111 0.82 DYRK1A (0.61) DYRK1ANOS3NOS1NOS2MEN1
SCHEMBL1159709 0.81 DYRK1A (0.56) DYRK1ANOS3NOS1NOS2MEN1
SCHEMBL4411668 0.80 DYRK1A (0.60) DYRK1ANOS3NOS1NOS2MEN1
SCHEMBL29733143 0.80 DYRK1A (0.60) DYRK1ANOS3NOS1NOS2MEN1
SCHEMBL3499564 0.79 DYRK1A (0.59) DYRK1ANOS3NOS1NOS2MEN1
SCHEMBL21001790 0.79 DYRK1A (0.59) DYRK1ANOS3NOS1NOS2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 — — US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 — — US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 — — US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 — — US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 — — US disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 — — US disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 — — US disclosed
US-9108922-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-18 — — US disclosed
US-9108922-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-18 — — US disclosed
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-25 — — US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — EP disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 — — US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 — — US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 — — EP disclosed
EP-0785924-B1 BIS-2-AMINOPYRIDINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR CONTROLLING PARASITIC INFECTIONS VIRBAC SA (FR) 2000-05-03 — — EP disclosed
US-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 — — US disclosed
US-5834491-A CONTROLLING PARASITIC INFECTIONS WITHIN RED BLOOD CELLS; MALARIA, BABESIASIS VIRBAC (FR) 1998-11-10 — — US disclosed
EP-0785924-A1 BIS-2-AMINOPYRIDINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR CONTROLLING PARASITIC INFECTIONS VIRBAC S.A. (FR) 1997-07-30 — — EP disclosed
WO-1996011910-A1 BIS-2-AMINOPYRIDINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR CONTROLLING PARASITIC INFECTIONS VIRBAC (FR) 1996-04-25 — — WO disclosed
EP-0665223-A1 Antitumor agent, novel 3(2H)-pyridazinone derivatives and their preparation TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-02 — — EP 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 (5 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 DYRK1A 1092/4885NOS3 2113/4885NOS1 2455/4885
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 DYRK1A 4334/4885NOS3 3372/4885NOS1 3528/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 DYRK1A 4334/4885NOS3 3372/4885NOS1 3528/4885
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 DYRK1A 4334/4885NOS3 3372/4885NOS1 3528/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 DYRK1A 4334/4885NOS3 3372/4885NOS1 3528/4885

“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.