SCHEMBL3786298

SCHEMBL3786298

Cc1ccc(Nc2ncccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
RAB9A P51151 4/20 0.52
ALDH1A1 P00352 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
KCNH2 Q12809 1/20 0.51
SCN5A Q14524 1/20 0.51
SCN9A Q15858 1/20 0.51
CCNB2 O95067 1/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
ACHE P22303 1/20 0.50
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
AHR P35869 1/20 0.49
KDR P35968 2/20 0.48

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
SCHEMBL18590747 0.82 HDAC3 (0.61) HPGDRAB9AALDH1A1HDAC3HDAC1
SCHEMBL10225814 0.79 SCN9A (0.58) RAB9AALDH1A1KCNH2SCN5ASCN9A
SCHEMBL15968669 0.78 AURKA (0.63) RAB9AALDH1A1HDAC6CCNB2CDK1
SCHEMBL911 0.78 AURKA (0.63) RAB9AALDH1A1HDAC6CCNB2CDK1
SCHEMBL12253181 0.78 NPC1 (0.61) HPGDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1120994 0.77 PIK3CG (0.51) RAB9AALDH1A1CDK1ACHENPC1
SCHEMBL4498501 0.77 AURKA (0.63) RAB9AALDH1A1ACHENPC1SMN1; SMN2
SCHEMBL7253364 0.77 HDAC3 (0.51) RAB9AHDAC3HDAC1HDAC2HDAC6
SCHEMBL4583809 0.77 RAD52 (0.56) HPGDRAB9AALDH1A1SCN9ACDK1
SCHEMBL1120968 0.77 AURKA (0.42) RAB9AALDH1A1SCN9ACDK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-85103378-A Process for preparing a group of novel compounds, formulations containing these compounds and their use in therapy 1986-07-09 CN claimed
CN-119912432-A Method for synthesizing carbazole derivative by using water as reaction solvent through multicomponent one-pot method 天津力生制药股份有限公司 2025-05-02 CN disclosed
US-7879837-B2 administering glycine derivatives such as (E)-2-(2,6-dichlorobenzamido)-5-[4-(isopropyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid, used for the treatment of nervous system disorders TORAY INDUSTRIES, INC. (JP) 2011-02-01 US disclosed
US-20100331384-A1 GUANIDINE BASED COMPOUNDS UNIVERSIDAD DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2010-12-30 US disclosed
US-20090275599-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS TORAY INDUSTRIES, INC. (JP) 2009-11-05 US disclosed
US-7566724-B2 Glycine derivative and use thereof TORAY INDUSTRIES, INC. (JP) 2009-07-28 US disclosed
WO-2009080818-A2 GUANIDINE BASED COMPOUNDS THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2009-07-02 WO disclosed
US-20090093508-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2009-04-09 US disclosed
US-20080085910-A1 Glycine Derivative and Use Thereof TORAY INDUSTRIES, INC. (JP) 2008-04-10 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 (4 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-20090093508-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP HPGD 135/4885RAB9A 3669/4885ALDH1A1 870/4885
US-20080085910-A1 Glycine Derivative and Use Thereof GNMT, SI, SLC7A11 HPGD 90/4885RAB9A 2017/4885ALDH1A1 1428/4885
US-20090275599-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS PMP22, MGMT, ENPEP HPGD 439/4885RAB9A 3015/4885ALDH1A1 2606/4885
US-20100331384-A1 GUANIDINE BASED COMPOUNDS ADRB2, ADRA2A, ADRA2C HPGD 1960/4885RAB9A 648/4885ALDH1A1 870/4885

“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.