SCHEMBL990644

SCHEMBL990644

Nc1nc2ccccc2n1Cc1cccc(F)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.66
TSHR P16473 1/20 0.66
KMT2A Q03164 2/20 0.63
TNF P01375 2/20 0.61
NOD2 Q9HC29 2/20 0.61
NOD1 Q9Y239 2/20 0.61
CXCL8 P10145 1/20 0.61
SOS1 Q07889 1/20 0.61
CSF1R P07333 5/20 0.57
MEN1 O00255 1/20 0.56
ALOX5AP P20292 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CXCR4 P61073 1/20 0.53
POLB P06746 3/20 0.50
ALDH1A1 P00352 1/20 0.50
IDO1 P14902 1/20 0.49

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
SCHEMBL7168102 0.90 KMT2A (0.71) HTTKMT2ATNFNOD2NOD1
SCHEMBL23361962 0.85 KMT2A (0.66) HTTKMT2ATNFNOD2NOD1
SCHEMBL16512786 0.84 KMT2A (0.64) HTTKMT2ATNFNOD2NOD1
SCHEMBL9630558 0.84 TNF (0.75) HTTTSHRKMT2ATNFNOD2
SCHEMBL939417 0.83 TNF (0.79) HTTTSHRKMT2ATNFNOD2
SCHEMBL31633144 0.83 TSHR (0.66) HTTTSHRKMT2ATNFMEN1
SCHEMBL23361856 0.83 MAPT (0.69) HTTTSHRKMT2ATNFNOD2
Hydrochloric Acid SCHEMBL11594488 0.82 TNF (0.73) HTTTSHRKMT2ATNFNOD2
Fluoride SCHEMBL10353244 0.82 HTT (0.62) HTTTSHRKMT2AMEN1ALOX5AP
SCHEMBL7165480 0.81 TNF (0.87) HTTKMT2ATNFNOD2NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200377505-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF GFB (ABC), LLC 2020-12-03 US disclosed
WO-2019028308-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2019-02-07 WO disclosed
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
EP-0145037-B1 N-(BICYCLIC HETEROCYCLYL)-4-PIPERIDINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-18 EP disclosed
US-4634704-A HISTAMINE AND SEROTONINE ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 1987-01-06 US disclosed
EP-0145037-A2 N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-19 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 (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-20200377505-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF AZI2, ATP6V1B1, GLS HTT 3957/4885TSHR 3340/4885KMT2A 1233/4885
US-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 HTT 4547/4885TSHR 2811/4885KMT2A 1066/4885

“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.