SCHEMBL6109641

SCHEMBL6109641

Clc1cccc(Nc2nccc(-c3ccnc(N4CCNCC4)c3)n2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMG1 Q96Q15 11/20 0.78
CAMK2D Q13557 5/20 0.78
CDK1 P06493 5/20 0.78
CDK2 P24941 5/20 0.78
MTOR P42345 6/20 0.57
CSNK2A1 P68400 1/20 0.57
ABL1 P00519 1/20 0.56
BCR P11274 1/20 0.56
PRKCA P17252 1/20 0.56
PRKCD Q05655 1/20 0.56
KARS1 Q15046 1/20 0.56
NPC1 O15118 1/20 0.55
CCNT1 O60563 1/20 0.55
MAPT P10636 1/20 0.55
CDK4 P11802 1/20 0.55
CCNB1 P14635 1/20 0.55
XBP1 P17861 1/20 0.55
CCNA2 P20248 1/20 0.55
CCND1 P24385 1/20 0.55
CCNE1 P24864 1/20 0.55

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
SCHEMBL6947468 0.88 CAMK2D (0.72) SMG1CAMK2DCDK1CDK2CSNK2A1
SCHEMBL23374069 0.88 CAMK2D (1.00) SMG1CAMK2DCDK1CDK2MTOR
SCHEMBL31186805 0.88 CAMK2D (1.00) SMG1CAMK2DCDK1CDK2MTOR
SCHEMBL6107663 0.88 SMG1 (1.00) SMG1CAMK2DCDK1CDK2MTOR
SCHEMBL7804203 0.83 SMG1 (0.91) SMG1CAMK2DCDK1CDK2MTOR
3-Chloroaniline SCHEMBL8308008 0.83 CAMK2D (0.68) SMG1CAMK2DCDK1CDK2CSNK2A1
SCHEMBL6093641 0.80 SMG1 (0.66) SMG1CAMK2DCDK1CDK2MTOR
SCHEMBL5630858 0.79 SMG1 (0.65) SMG1CAMK2DCDK1CDK2MTOR
SCHEMBL3513778 0.78 CAMK2D (0.73) SMG1CAMK2DCDK1CDK2MTOR
SCHEMBL6608384 0.78 SMG1 (0.69) SMG1CAMK2DCDK1CDK2MTOR

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-0672041-B1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2001-11-14 EP claimed
EP-0672041-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 EP claimed
WO-1995009853-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 WO claimed
US-7109197-B2 N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives SYNGENTA CROP PROTECTION, INC. (US) 2006-09-19 US disclosed
EP-1292190-B1 N-PHENYL-4-(4-PYRIDYL)-2-PYRIMIDINEAMINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2005-08-24 EP disclosed
US-20030236256-A1 N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives SYNGENTA CROP PROTECTION, INC. 2003-12-25 US disclosed
EP-0672041-B1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2001-11-14 EP disclosed
EP-0672041-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 EP disclosed
WO-1995009853-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 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-20030236256-A1 N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives HRH4, HRH3, HRH2 SMG1 1422/4885CAMK2D 4728/4885CDK1 2196/4885

“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.