SCHEMBL110348

SCHEMBL110348

Cc1cc(Cl)cc(Cl)c1CN

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.39
SCN4A P35499 2/20 0.39
DPP4 P27487 7/20 0.36
P2RX7 Q99572 4/20 0.36
ALDH1A1 P00352 1/20 0.36
DPP8 Q6V1X1 2/20 0.36
AHR P35869 1/20 0.35
CD44 P16070 1/20 0.34

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
Hydrochloric Acid SCHEMBL966799 0.98 KRAS (0.39) KRASRAPGEF4SCN4ADPP4P2RX7
SCHEMBL15129221 0.85 KRAS (0.33) KRASRAPGEF4SCN4ADPP4ALDH1A1
SCHEMBL2090996 0.83 ALDH1A1 (0.45) KRASDPP4ALDH1A1DPP8AHR
SCHEMBL12618460 0.83 KRAS (0.53) KRASRAPGEF4SCN4AP2RX7
SCHEMBL26566694 0.82 TSHR (0.38) RAPGEF4ALDH1A1CD44
SCHEMBL10144197 0.80 CYP3A4 (0.45) KRASSCN4ADPP4ALDH1A1CD44
SCHEMBL10051058 0.79 RAPGEF4 (0.41) KRASRAPGEF4SCN4AP2RX7ALDH1A1
SCHEMBL14932492 0.79 RAPGEF4 (0.41) KRASRAPGEF4SCN4AP2RX7ALDH1A1
SCHEMBL5952499 0.78 SCN4A (0.37) KRASSCN4ADPP4
SCHEMBL6151899 0.77 RAPGEF4 (0.39) KRASRAPGEF4P2RX7ALDH1A1AHR

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 107 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2804865-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-23 EP claimed
EP-1610779-B1 3-OXO-1,3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS LILLY CO ELI (US) 2009-09-09 EP claimed
EP-1869038-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-07-08 EP claimed
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
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
EP-3609868-B1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS RAQUALIA PHARMA INC (JP) 2023-10-18 EP disclosed
US-20230149382-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASAHI KASEI PHARMA CORPORATION (JP) 2023-05-18 US disclosed
US-20230149382-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASAHI KASEI PHARMA CORPORATION (JP) 2023-05-18 US disclosed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 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
EP-0934257-A1 SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-11 EP disclosed
EP-0927034-A1 METHOD OF TREATING URINARY INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION (US) 1999-07-07 EP disclosed
US-5763474-A SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-06-09 US disclosed
WO-1998011888-A1 METHOD OF TREATING URINARY INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-26 WO disclosed
WO-1998002413-A1 SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-01-22 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 (5 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 KRAS 4202/4885RAPGEF4 4453/4885SCN4A 736/4885
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 KRAS 2652/4885RAPGEF4 2643/4885SCN4A 99/4885
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 KRAS 3701/4885RAPGEF4 2766/4885SCN4A 1377/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 KRAS 2652/4885RAPGEF4 2643/4885SCN4A 99/4885
US-20230149382-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 KRAS 1194/4885RAPGEF4 1193/4885SCN4A 379/4885

“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.