SCHEMBL3376392

SCHEMBL3376392

Nc1c(C(=O)O)cnn1-c1cccc(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.67
RAB9A P51151 4/20 0.62
NPC1 O15118 2/20 0.62
ATM Q13315 1/20 0.62
RIPK2 O43353 1/20 0.57
MAPK14 Q16539 3/20 0.55
PTPN1 P18031 2/20 0.52
FGFR1 P11362 1/20 0.51
FGFR2 P21802 1/20 0.51
FGFR3 P22607 1/20 0.51
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.49
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL2834342 0.88 RIPK2 (0.70) HTTRAB9ANPC1ATMRIPK2
SCHEMBL15933265 0.87 HTT (0.69) HTTRAB9ANPC1ATMRIPK2
SCHEMBL7826861 0.85 MAPK14 (0.62) HTTRAB9ANPC1RIPK2MAPK14
SCHEMBL10364508 0.85 HTT (0.52) HTTRAB9ANPC1ATMALDH1A1
SCHEMBL1335080 0.84 RIPK2 (0.78) RAB9ANPC1RIPK2MAPK14PTPN1
SCHEMBL3375740 0.84 MAPK14 (0.76) HTTRAB9ANPC1RIPK2MAPK14
SCHEMBL2499070 0.84 RIPK2 (0.56) HTTRAB9ANPC1ATMRIPK2
SCHEMBL15930131 0.83 HTT (0.65) HTTRAB9ANPC1ATMRIPK2
SCHEMBL3374632 0.83 PTPN1 (0.69) RAB9ANPC1RIPK2MAPK14PTPN1
Hydrochloric Acid SCHEMBL28362888 0.83 MAPK14 (0.74) HTTRAB9ANPC1RIPK2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208068-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
US-10208068-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
US-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-31 US disclosed
US-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-31 US disclosed
US-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-31 US disclosed
US-9902742-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed
US-9902742-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed
US-9902742-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed
US-20170158712-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-08 US disclosed
US-20170158712-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-08 US disclosed
US-20100035926-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2010-02-11 US disclosed
US-20100035926-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2010-02-11 US disclosed
US-20100035926-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2010-02-11 US disclosed
EP-2099766-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS Glaxo Group Limited (GB) 2009-09-16 EP disclosed
CN-101501003-A Phenyl-pyrazole derivatives as non-steroidal glucocorticoid receptor ligands GLAXO GROUP LTD (GB) 2009-08-05 CN disclosed
WO-2008074814-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
WO-2008074814-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
EP-0151866-B1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES ELI LILLY AND COMPANY (US) 1990-07-25 EP disclosed
US-4620865-A Herbicidal and algicidal 1,5-disubstituted-1H-pyrazole-4-carboxamides ELI LILLY AND COMPANY (US) 1986-11-04 US disclosed
EP-0151866-A2 Herbicidal pyrazole-(thio)-carboxamides ELI LILLY AND COMPANY (US) 1985-08-21 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 (4 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-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 HTT 2579/4885RAB9A 2781/4885NPC1 2191/4885
US-10208068-B2 Macrocycles as factor XIa inhibitors TFPI, TFPI2, F12 HTT 2206/4885RAB9A 3211/4885NPC1 1981/4885
US-20170158712-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 HTT 2579/4885RAB9A 2781/4885NPC1 2191/4885
US-20100035926-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS NR3C1, NR3C2, CYP11B2 HTT 4732/4885RAB9A 4305/4885NPC1 1842/4885

“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.