SCHEMBL4649914

SCHEMBL4649914

Clc1n[c]nc(Nc2ccccc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
NFKB1 P19838 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
MAPK1 P28482 2/20 0.63
LMNA P02545 1/20 0.54
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
JAK2 O60674 1/20 0.41
LRRK2 Q5S007 1/20 0.41
KCNH3 Q9ULD8 3/20 0.41
CDK2 P24941 2/20 0.41
NPY5R Q15761 2/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL8467608 0.86 MAPT (0.57) MAPTNFKB1MEN1KMT2AMAPK1
SCHEMBL4649919 0.78 NPC1 (0.43) MAPTNFKB1MEN1KMT2AMAPK1
SCHEMBL1923883 0.78 MAPT (1.00) MAPTNFKB1MEN1KMT2AMAPK1
SCHEMBL113103 0.78 NFKB1 (1.00) MAPTNFKB1MEN1KMT2AMAPK1
SCHEMBL21655135 0.78 NFKB1 (1.00) MAPTNFKB1MEN1KMT2AMAPK1
SCHEMBL9183870 0.78 BCL6 (0.56) MAPTNFKB1MEN1KMT2AMAPK1
SCHEMBL4651692 0.78 AURKA (0.45) MAPTNFKB1MEN1KMT2AMAPK1
SCHEMBL4650810 0.77 NFKB1 (0.46) MAPTNFKB1MEN1KMT2AMAPK1
SCHEMBL4650630 0.76 CHAT (0.46) MAPTNFKB1MEN1KMT2AMAPK1
SCHEMBL4651485 0.76 CA9 (0.50) CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0142104-B1 FIBRE-REACTIVE CHROMIUM COMPLEXES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1990-01-03 EP claimed
EP-0159962-B1 FIBRE-REACTIVE CHROMIUM OR COBALT COMPLEXES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1989-02-08 EP claimed
US-4678851-A FIBER-RACTIVE CIBA-GEIGY CORPORATION (US) 1987-07-07 US claimed
EP-0144776-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-06-19 EP claimed
EP-0142104-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-05-22 EP claimed
US-4303652-A Fiber-reactive phosphorus mothproofing agents COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1981-12-01 US claimed
EP-1397438-B1 DYE MIXTURES OF FIBER-REACTIVE AZODYES AND THE USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO (DE) 2008-09-10 EP disclosed
US-7060114-B2 Dye mixtures of fiber-reactive azo dyes and the use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2006-06-13 US disclosed
US-20060107869-A1 Inks for digital textile printing with reactive yellow fluorescent dyes DYSTAR TEXTILF DEUTSCHLAND KG (DE) 2006-05-25 US disclosed
EP-1397439-B1 DYE MIXTURES OF FIBER-REACTIVE AZODYES AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO (DE) 2005-11-16 EP disclosed
US-6962611-B2 Dye mixtures of fiber-reactive azodyes and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-11-08 US disclosed
US-6946006-B2 Black dye mixtures of fiber-reactive AZO dyes and use thereof for dyeing material containing hydroxy- and/or carboxamido groups DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-09-20 US disclosed
US-20040148714-A1 Dye mixtures of fiber-reactive azodyes and the use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2004-08-05 US disclosed
EP-0142104-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-05-22 EP disclosed
US-4418015-A Phthalocyanine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1983-11-29 US disclosed
US-4400504-A DYEING AND PRINTING CELLULOSE AND POLYAMIDE AND-URETHANE FIBERS; TRIAZINE, PYRIDINE AND PYRIMIDINE DYES BAYER AKTIENGESELLSCHAFT (DE) 1983-08-23 US disclosed
US-4343618-A Mothproofing agents COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1982-08-10 US disclosed
EP-0053743-A2 Reactive dioxazine dyestuffs, process for their preparation and their use in dyeing and printing fibrous materials containing hydroxyle or amide groups BAYER AG (DE) 1982-06-16 EP disclosed
US-4303652-A Fiber-reactive phosphorus mothproofing agents COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1981-12-01 US disclosed
EP-0040460-A1 Reactive dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-11-25 EP 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-20060107869-A1 Inks for digital textile printing with reactive yellow fluorescent dyes IK, COL1A1, DDX41 MAPT 1168/4885NFKB1 3381/4885MEN1 789/4885

“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.