SCHEMBL289744

SCHEMBL289744

[c]1cccnc1-n1cncn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.46
LMNA P02545 1/20 0.36
PIM1 P11309 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP19A1 P11511 1/20 0.32
MAPK10 P53779 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30
GLA P06280 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL450353 0.74 ALDH1A1 (0.42) LMNAKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL10759266 0.73 CYP2A6 (0.48) CYP2A6LMNAPIM1KDM4EALDH1A1
SCHEMBL17714518 0.72 NOTUM (0.41) KDM4EALDH1A1KMT2A
SCHEMBL20135900 0.71
SCHEMBL13740175 0.70 TDO2 (0.38) KDM4EALDH1A1CYP1A2
SCHEMBL3147551 0.69
SCHEMBL8066952 0.69 CYP3A4 (0.43) CYP2A6LMNAALDH1A1CYP1A2CYP2D6
SCHEMBL586172 0.69 CYP2A6 (0.42) CYP2A6LMNAPIM1KDM4EALDH1A1
SCHEMBL9872249 0.69
SCHEMBL29935805 0.67 CYP2A6 (0.47) CYP2A6LMNAPIM1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP claimed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 EP claimed
US-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 US claimed
US-9018228-B2 Nematocidal sulfonamides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-04-28 US disclosed
EP-2427058-B1 NEMATOCIDAL SULFONAMIDES DU PONT (US) 2014-12-31 EP disclosed
US-20140221203-A1 NEMATOCIDAL SULFONAMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-07 US disclosed
US-8735588-B2 Nematocidal sulfonamides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-27 US disclosed
US-20140088309-A1 NEMATOCIDAL SULFONAMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-03-27 US disclosed
US-8623890-B2 Nematocidal sulfonamides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-01-07 US disclosed
US-20120114624-A1 NEMATOCIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-10 US disclosed
EP-2427058-A2 NEMATOCIDAL SULFONAMIDES E. I. du Pont de Nemours and Company (US) 2012-03-14 EP disclosed
WO-2010129500-A2 NEMATOCIDAL SULFONAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-11 WO disclosed
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP disclosed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 EP disclosed
US-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 US disclosed
US-20060135447-A1 Macrolides CHUPAK LOUIS S 2006-06-22 US disclosed
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 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-20060135447-A1 Macrolides LCAT, NOP2, HDAC6 CYP2A6 426/4885LMNA 660/4885PIM1 3022/4885
US-20140221203-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 CYP2A6 1382/4885LMNA 3730/4885PIM1 2306/4885
US-20120114624-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 CYP2A6 1382/4885LMNA 3730/4885PIM1 2306/4885
US-20140088309-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 CYP2A6 1382/4885LMNA 3730/4885PIM1 2306/4885

“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.