SCHEMBL2023928

SCHEMBL2023928

O=[N+]([O-])c1ccc(Cn2cnc3ccccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.65
CYP11B2 P19099 7/20 0.65
TNF P01375 1/20 0.65
SMN1; SMN2 Q16637 5/20 0.64
HTT P42858 4/20 0.64
MAPK1 P28482 1/20 0.64
LMNA P02545 3/20 0.62
NR1I2 O75469 1/20 0.58
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
TSHR P16473 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PKM P14618 2/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 1/20 0.52
P2RX4 Q99571 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL12640621 0.86 CYP11B1 (0.65) CYP11B1CYP11B2TNFSMN1; SMN2HTT
SCHEMBL2028857 0.85 CYP11B1 (0.61) CYP11B1CYP11B2TNFSMN1; SMN2HTT
SCHEMBL13907295 0.84 CYP11B1 (0.89) CYP11B1CYP11B2TNFSMN1; SMN2HTT
SCHEMBL7029418 0.83 PKM (0.62) CYP11B1CYP11B2TNFSMN1; SMN2HTT
SCHEMBL4748504 0.83 PKM (0.77) CYP11B1CYP11B2TNFSMN1; SMN2HTT
SCHEMBL28277975 0.80 ALDH1A1 (0.60) CYP11B1CYP11B2TNFSMN1; SMN2HTT
SCHEMBL230002 0.80 CYP11B1 (1.00) CYP11B1CYP11B2TNFSMN1; SMN2HTT
SCHEMBL31357411 0.80 CYP11B1 (1.00) CYP11B1CYP11B2TNFSMN1; SMN2HTT
SCHEMBL4831193 0.80 KCNH2 (0.67) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL15486918 0.79 BRD4 (0.52) CYP11B1CYP11B2TNFSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516405-B1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY VIROSTATICS S R L (IT) 2015-09-30 EP disclosed
EP-2516405-B1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY VIROSTATICS S R L (IT) 2015-09-30 EP disclosed
US-9040529-B2 4-phenylamino-pyrimidine derivatives having protein kinase inhibitor activity VICHEM CHEMIE KUTATÓ KFT. (HU) 2015-05-26 US disclosed
US-9040529-B2 4-phenylamino-pyrimidine derivatives having protein kinase inhibitor activity VICHEM CHEMIE KUTATÓ KFT. (HU) 2015-05-26 US disclosed
US-9040529-B2 4-phenylamino-pyrimidine derivatives having protein kinase inhibitor activity VICHEM CHEMIE KUTATÓ KFT. (HU) 2015-05-26 US disclosed
EP-2516405-A1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY Vichem Chemie Kutató KFT (HU) 2012-10-31 EP disclosed
US-20120258968-A1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY VIROSTATICS S.R.L. (IT) 2012-10-11 US disclosed
US-20120258968-A1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY VIROSTATICS S.R.L. (IT) 2012-10-11 US disclosed
WO-2011077171-A1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY VICHEM CHEMIE KUTATÓ KFT. (HU) 2011-06-30 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-20120258968-A1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY CDK9, CDK19, CDKL3 CYP11B1 3699/4885CYP11B2 4147/4885TNF 1608/4885

“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.