SCHEMBL5604298

SCHEMBL5604298

c1nc(C2CCNCC2)c2ccc(N3CCNCC3)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 6/20 0.42
HTT P42858 1/20 0.41
ADRB1 P08588 2/20 0.40
HTR2C P28335 1/20 0.40
HTR6 P50406 3/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR5A P47898 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
ADRB2 P07550 1/20 0.39
NCF1 P14598 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
KHK P50053 1/20 0.38
IP6K1 Q92551 1/20 0.38
KIT P10721 1/20 0.38

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
SCHEMBL5604831 0.94 PRKDC (0.50) PRKDCIP6K1
SCHEMBL5604488 0.94 PRKDC (0.47) PRKDCIP6K1
SCHEMBL3562397 0.90 PRKDC (0.56) PRKDC
SCHEMBL3572685 0.90 MEN1 (0.46) PRKDCHTTSIGMAR1HRH4KHK
SCHEMBL27739405 0.89 ADRB2 (0.44) PRKDCHRH4ADRB2NCF1KHK
SCHEMBL3557702 0.87 FGFR2 (0.44) PRKDCHTTKHK
SCHEMBL4962579 0.86 MAPK7 (0.43) PRKDCHTR6
SCHEMBL3558524 0.86 NTRK1 (0.43) PRKDCHRH4IP6K1
SCHEMBL4966092 0.86 KHK (0.41) PRKDCKHKKIT
SCHEMBL3570233 0.86 AR (0.39) PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071768-B2 Alkylquinoline and alkylquinazoline kinase modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2011-12-06 US disclosed
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
US-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 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 (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-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS FLT3, KIT, NTRK2 PRKDC 21/4885HTT 1429/4885ADRB1 1888/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG PRKDC 8/4885HTT 4033/4885ADRB1 4380/4885

“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.