SCHEMBL691222

SCHEMBL691222

Cc1ccc(-c2nc(N)cc(N)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP1B1 Q16678 1/20 0.49
NPSR1 Q6W5P4 2/20 0.45
DPP4 P27487 1/20 0.45
HRH4 Q9H3N8 1/20 0.44
TSHR P16473 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL20860928 0.83 ADORA2A (0.79) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL11780284 0.81 ACHE (0.65) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6111135 0.80 L3MBTL1 (0.52) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL11810896 0.80 L3MBTL1 (0.52) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL672647 0.79 RAB9A (0.61) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL8486932 0.79 HRH4 (0.57) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL7708521 0.79 MEN1 (0.67) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3898780 0.78 ADORA2A (0.51) MEN1KMT2ALMNAADORA2AADORA1
SCHEMBL15025989 0.78 L3MBTL1 (0.50) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL13231717 0.78 L3MBTL1 (0.50) RAB9AMEN1KMT2ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073361-B Rosin diterpenoid compound and preparation method and application thereof 广东药科大学 2024-04-12 CN disclosed
CN-115073361-A Rosin diterpenoid compound and preparation method and application thereof 广东药科大学 2022-09-20 CN disclosed
US-20220064150-A1 SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS INC (US) 2022-03-03 US disclosed
CN-110325516-A HETEROARYL COMPOUNDS AND THEIR USE 米尼奥尔克斯治疗有限公司 2019-10-11 CN disclosed
CN-105367503-A HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS INC 2016-03-02 CN disclosed
CN-101902911-B Heteroaryl compounds and uses thereof AVILA THERAPEUTICS, INC. (US) 2015-12-16 CN disclosed
EP-2421538-A1 HETEROARYL COMPOUNDS AND USES THEREOF Avila Therapeutics, Inc. (US) 2012-02-29 EP disclosed
US-20110230494-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-15 US disclosed
US-7989465-B2 4,6-disubstituted pyrimidines useful as kinase inhibitors AVILA THERAPEUTICS, INC. (US) 2011-08-02 US disclosed
US-7982036-B2 4,6-disubstitued pyrimidines useful as kinase inhibitors AVILA THERAPEUTICS, INC. (US) 2011-07-19 US disclosed
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2004-05-13 US disclosed
EP-1363638-A2 USE OF GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY AND COMPOUNDS USEFUL IN SUCH METHODS Synaptic Pharmaceutical Corporation (US) 2003-11-26 EP disclosed
WO-2002060392-A2 USE OF GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY AND COMPOUNDS USEFUL IN SUCH METHODS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-08-08 WO disclosed
EP-0274356-B1 VATTABLE 2-ARYL-4,6-DIAMINOPYRIMIDINE CIBA-GEIGY AG (CH) 1990-05-16 EP disclosed
US-4845220-A Vattable 2-aryl-4,6-diaminopyrimidines CIBA-GEIGY CORPORATION 1989-07-04 US disclosed
EP-0274356-A1 Vattable 2-aryl-4,6-diaminopyrimidine CIBA-GEIGY AG (CH) 1988-07-13 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 (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-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 RAB9A 580/4885SMN1; SMN2 2352/4885MEN1 606/4885
US-20220064150-A1 SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS BMI1, BRPF3, BAZ2A RAB9A 2804/4885SMN1; SMN2 2600/4885MEN1 1574/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 RAB9A 3130/4885SMN1; SMN2 1308/4885MEN1 4128/4885
US-20110230494-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 RAB9A 580/4885SMN1; SMN2 2352/4885MEN1 606/4885

“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.