SCHEMBL9400611

SCHEMBL9400611

O=C(Nc1cccnc1)Nc1ccc2[nH]ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.57
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAPT P10636 4/20 0.56
TP53 P04637 3/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTR2B P41595 1/20 0.56
RECQL P46063 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
LMNA P02545 3/20 0.55
ATM Q13315 1/20 0.55
HTR2C P28335 1/20 0.55
RAB9A P51151 5/20 0.55
NPC1 O15118 5/20 0.55
HTT P42858 2/20 0.54

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
Hydrochloric Acid SCHEMBL9400692 0.99 HTR2C (0.57) ATRMEN1KMT2AMAPTTP53
SCHEMBL31668675 0.84 NPC1 (0.64) MAPTRAB9ANPC1MAOAMAOB
SCHEMBL22803696 0.84 NPC1 (0.67) MAPTRAB9ANPC1MAOAMAOB
SCHEMBL6166855 0.83 MAOA (0.73) MAPTRAB9ANPC1MAOAMAOB
SCHEMBL8523959 0.83 RAB9A (0.71) ATRMEN1KMT2AMAPTLMNA
SCHEMBL31668688 0.83 MAOA (0.66) MAPTRAB9ANPC1MAOAMAOB
SCHEMBL22803697 0.82 KDM4E (0.60) ATRMEN1KMT2AKDM4ERAB9A
SCHEMBL8789974 0.82 FGFR2 (0.49) ATRMAPTKDM4ERAB9ANPC1
SCHEMBL1743495 0.79 IMPDH2 (0.69) MEN1KMT2AMAPTTP53KDM4E
Hydrochloric Acid SCHEMBL18321794 0.79 MEN1 (0.58) MEN1KMT2AMAPTTP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328922-A Anxiolytic and antidepressant activity BEECHAM GROUP P.L.C. (GB) 1994-07-12 US claimed
WO-1993018026-A1 INDOLE UREAS AS 5-HT1C RECEPTOR ANTOGONISTS BEECHAM GROUP PLC (GB) 1993-09-16 WO claimed
WO-1993016694-A1 USE OF INDYLPYRIDYLUREAS TO HEAL THE EFFECTS OF BRAIN OR SPIRAL TRAUMA SMITHKLINE BEECHAM PLC (GB) 1993-09-02 WO claimed
EP-0550507-A1 INDOLE UREAS AS 5 HT RECEPTOR ANTAGONIST Beecham Group p.l.c. (GB) 1993-07-14 EP claimed
WO-1992005170-A1 INDOLE UREAS AS 5 HT RECEPTOR ANTAGONIST BEECHAM GROUP PLC (GB) 1992-04-02 WO claimed
US-20220193082-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY ZOGENIX INTERNATIONAL LIMITED (GB) 2022-06-23 US disclosed
US-20170071949-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY ZOGENIX INTERNATIONAL LIMITED (GB) 2017-03-16 US disclosed
WO-1993016694-A1 USE OF INDYLPYRIDYLUREAS TO HEAL THE EFFECTS OF BRAIN OR SPIRAL TRAUMA SMITHKLINE BEECHAM PLC (GB) 1993-09-02 WO 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-20220193082-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY HTR2B, HTR3B, HTR5A ATR 2991/4885MEN1 919/4885KMT2A 726/4885
US-20170071949-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY HTR2B, HTR3B, HTR5A ATR 2991/4885MEN1 919/4885KMT2A 726/4885

“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.