SCHEMBL3399314

SCHEMBL3399314

CCn1ccnc1-c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
HTR2C P28335 7/20 0.53
HTR2A P28223 2/20 0.48
KDM4E B2RXH2 1/20 0.42
MC4R P32245 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
CYP2A6 P11509 1/20 0.40
CSNK1D P48730 1/20 0.39
TLR8 Q9NR97 1/20 0.39
DYRK1A Q13627 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL7644288 0.84 TLR8 (0.55) KMT2AHTR2CHTR2ATLR8
SCHEMBL8926575 0.81 HTR2C (0.42) KMT2AHTR2CHTR2AKDM4ENISCH
SCHEMBL5486071 0.79 HTR2C (0.66) KMT2AHTR2CHTR2AKDM4ENISCH
SCHEMBL28781053 0.78 KMT2A (0.48) KMT2AHTR2CHTR2ANISCHCYP2A6
SCHEMBL14368636 0.77 HTR2C (0.41) KMT2AHTR2CHTR2ADYRK1A
Hydrochloric Acid SCHEMBL7177034 0.75 KMT2A (0.43) KMT2AHTR2CKDM4EMC4RNISCH
Hydrochloric Acid SCHEMBL7176630 0.75 KMT2A (0.43) KMT2AHTR2CKDM4EMC4RNISCH
Hydrochloric Acid SCHEMBL7177916 0.75 KMT2A (0.43) KMT2AHTR2CKDM4EMC4RNISCH
Hydrochloric Acid SCHEMBL7180472 0.75 KMT2A (0.43) KMT2AHTR2CKDM4EMC4RNISCH
Hydrochloric Acid SCHEMBL7171336 0.75 KMT2A (0.43) KMT2AHTR2CKDM4EMC4RNISCH

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
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
EP-1848428-A2 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-10-31 EP disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed
WO-2006089076-A2 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2006-08-24 WO disclosed
US-4259439-A DIMETHINECYANINE DYE SENSITIZER MITSUBISHI PAPER MILLS, LTD. (JP) 1981-03-31 US disclosed
US-4147554-A 5,6-DIHYDRO-PYRROLO(2,1-A)ISOQUINOLINES MITSUBISHI PAPER MILLS, LTD. (JP) 1979-04-03 US disclosed
US-4134769-A BETAINE AND ANIONIC TYPE CYANINE DYES MITSUBISHI PAPER MILLS, LTD. (JP) 1979-01-16 US disclosed
US-4053318-A SENSITIZING MEROCYANINE DYE FUJI PHOTO FILM CO., LTD. (JA) 1977-10-11 US disclosed
US-3966477-A Spectrally sensitized silver halide photographic emulsion FUJI PHOTO FILM CO., LTD. (JA) 1976-06-29 US 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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 KMT2A 890/4885HTR2C 416/4885HTR2A 323/4885

“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.