SCHEMBL4931476

SCHEMBL4931476

[c]1nc2cccnc2n2cnnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.45
TSHR P16473 2/20 0.36
CREBBP Q92793 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ADORA3 P0DMS8 3/20 0.34
ADORA2A P29274 3/20 0.34
ADORA1 P30542 3/20 0.34
POLB P06746 1/20 0.34
TOP2A P11388 1/20 0.33
ALOX15 P16050 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR3E A5X5Y0 2/20 0.31
HTR3B O95264 2/20 0.31
HTR1A P08908 2/20 0.31
HTR2C P28335 2/20 0.31

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
SCHEMBL15471902 0.72 HRH4 (0.45) HRH4TSHRCREBBPHSD17B10KDM4E
SCHEMBL15456829 0.70 HRH4 (0.59) HRH4TSHRCREBBPHSD17B10KDM4E
SCHEMBL14828790 0.70 HRH4 (0.56) HRH4TSHRCREBBPHSD17B10KDM4E
SCHEMBL1368573 0.63 HRH4 (0.40) HRH4TSHRCREBBPHSD17B10KDM4E
SCHEMBL2067525 0.63 ALDH1A1 (0.35) HRH4HSD17B10KDM4EMAPTPOLB
SCHEMBL3320683 0.62 HRH4 (0.36) HRH4KDM4EHTR3EHTR3BHTR1A
SCHEMBL9958295 0.62 HRH4 (0.35) HRH4TSHRCREBBPHSD17B10KDM4E
SCHEMBL2317984 0.61 TNKS2 (0.30)
SCHEMBL7837631 0.61 KDM4E (0.42) TSHRKDM4EMAPTLMNAHPGD
SCHEMBL1226224 0.61 POLB (0.50) KDM4EMAPTPOLBLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756113-B1 COMPOUNDS CONTAINING A N-HETEROARYL MOIETY LINKED TO FUSED RING MOIETIES FOR THE INHIBITION OF NAD(P)H OXIDASES AND PLATELET ACTIVATION VASOPHARM GMBH (DE) 2014-05-07 EP disclosed
US-8236809-B2 Substituted 1,2,3-triazolopyrimidines for the inhibition of NAD(P)H oxidases and platelet activation VASOPHARM GMBH (DE) 2012-08-07 US disclosed
US-20080044354-A1 Compounds Containing a N-Heteroaryl Moiety Linked to Fused Ring Moieties for the Inhibition of Nad(P)H Oxidases and Platelet Activation VASOPHARM GMBH (DE) 2008-02-21 US disclosed
EP-1598354-A1 Compounds containing a N-heteroaryl moiety linked to fused ring moieties for the inhibition of NAD(P)H oxidases and platelet activation Vasopharm Biotech GmbH (DE) 2005-11-23 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-20080044354-A1 Compounds Containing a N-Heteroaryl Moiety Linked to Fused Ring Moieties for the Inhibition of Nad(P)H Oxidases and Platelet Activation NQO1, CYBB, NADK HRH4 361/4885TSHR 4084/4885CREBBP 3565/4885

“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.