SCHEMBL5890955

SCHEMBL5890955

O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(-c3ccccc3)nc1)C2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.47
VNN1 O95497 1/20 0.44
KMT2A Q03164 2/20 0.43
AVPR1A P37288 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.41
NAMPT P43490 2/20 0.41
RAB9A P51151 2/20 0.41
AVPR2 P30518 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL3553460 0.91 AVPR1A (0.52) VNN1KMT2AAVPR1AHTTSMN1; SMN2
SCHEMBL3558499 0.91 AVPR1A (0.43) HPGDSVNN1KMT2AAVPR1AHTT
SCHEMBL3550414 0.89 STAT3 (0.48) VNN1HTTSMN1; SMN2LMNAUSP2
SCHEMBL3554440 0.89 USP2 (0.47) VNN1KMT2AAVPR1AHTTSMN1; SMN2
SCHEMBL3558314 0.89 VNN1 (0.48) VNN1SMN1; SMN2LMNAUSP2NAMPT
SCHEMBL3557069 0.89 SMN1; SMN2 (0.45) VNN1HTTSMN1; SMN2LMNANAMPT
SCHEMBL3551515 0.89 VNN1 (0.49) VNN1SMN1; SMN2LMNANAMPT
SCHEMBL3551764 0.89 AVPR1A (0.50) VNN1KMT2AAVPR1AHTTSMN1; SMN2
SCHEMBL3552792 0.88 USP2 (0.47) VNN1AVPR1AHTTSMN1; SMN2LMNA
SCHEMBL3552829 0.88 AVPR1A (0.45) VNN1AVPR1AHTTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US claimed
WO-2002083683-A9 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2004-02-26 WO claimed
EP-1377581-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP claimed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US claimed
WO-2002083683-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO claimed
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US disclosed
WO-2002083683-A9 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2004-02-26 WO disclosed
EP-1377581-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US disclosed
WO-2002083683-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO 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 (1 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-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, OPRK1 HPGDS 833/4885VNN1 1924/4885KMT2A 3633/4885

“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.