SCHEMBL6151899

SCHEMBL6151899

Cc1cc(Cl)cc(Cl)c1C[NH]

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.39
P2RX7 Q99572 12/20 0.36
ALDH1A1 P00352 2/20 0.36
AHR P35869 1/20 0.35
CYP3A4 P08684 3/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KRAS P01116 1/20 0.33

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
SCHEMBL2090995 0.83 ALDH1A1 (0.45) ALDH1A1AHRCYP3A4TSHRRECQL
SCHEMBL14932492 0.79 RAPGEF4 (0.41) RAPGEF4P2RX7ALDH1A1AHRCYP3A4
SCHEMBL10051058 0.79 RAPGEF4 (0.41) RAPGEF4P2RX7ALDH1A1AHRCYP3A4
SCHEMBL27129026 0.77 RAPGEF4 (0.39) RAPGEF4P2RX7ALDH1A1AHRCYP3A4
SCHEMBL110348 0.77 KRAS (0.40) RAPGEF4P2RX7ALDH1A1AHRKRAS
SCHEMBL6355236 0.77 RAPGEF4 (0.39) RAPGEF4P2RX7ALDH1A1AHRCYP3A4
SCHEMBL20306076 0.76 RAPGEF4 (0.38) RAPGEF4P2RX7ALDH1A1AHRCYP3A4
Hydrochloric Acid SCHEMBL966799 0.76 KRAS (0.39) RAPGEF4P2RX7ALDH1A1AHRKRAS
SCHEMBL10019197 0.74 RAPGEF4 (0.37) RAPGEF4P2RX7ALDH1A1AHRCYP3A4
SCHEMBL13928564 0.74 NPC1 (0.39) RAPGEF4P2RX7ALDH1A1AHRKRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066269-B1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2005-05-11 EP claimed
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US claimed
US-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives DAEYAERT FREDERIK FRANS DESIRE (BE) 2002-08-22 US claimed
EP-1066269-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-10 EP claimed
US-6150360-A ADMINISTERING TO A PATIENT SUFFERING FROM HUMAN IMMUNODEFICIENCY VIRUS INFECTION A TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVE JANSSEN PHARMACEUTICA N.V. (BE) 2000-11-21 US claimed
WO-1999050256-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 WO claimed
EP-1150982-B1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkB-alpha CV THERAPEUTICS INC (US) 2005-10-12 EP disclosed
EP-1066269-B1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2005-05-11 EP disclosed
US-6790958-B2 ANTIPROLIFERATIVE AGENTS; FUNGICIDES LUM ROBERT T (US) 2004-09-14 US disclosed
US-6774235-B2 HAVING HIV REPLICATION INHIBITING PROPERTIES. JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-10 US disclosed
US-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives DAEYAERT FREDERIK FRANS DESIRE (BE) 2002-08-22 US disclosed
US-6372729-B1 TREATMENT OF VIRAL DISEASES SUCH AS AIDS JANSSEN PHARMACEUTICA N.V. (BE) 2002-04-16 US disclosed
EP-1066269-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-10 EP disclosed
US-6150360-A ADMINISTERING TO A PATIENT SUFFERING FROM HUMAN IMMUNODEFICIENCY VIRUS INFECTION A TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVE JANSSEN PHARMACEUTICA N.V. (BE) 2000-11-21 US disclosed
WO-1999050256-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 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 (2 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-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives XDH, CCR5, CXCR1 RAPGEF4 4453/4885P2RX7 2518/4885ALDH1A1 3722/4885
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 RAPGEF4 2766/4885P2RX7 1037/4885ALDH1A1 3492/4885

“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.