SCHEMBL361105

SCHEMBL361105

Nc1ccncc1B(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM6B O15054 1/20 0.41
KDM4A O75164 1/20 0.41
THRB P10828 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GLA P06280 1/20 0.40
EP300 Q09472 1/20 0.39
KAT2B Q92831 1/20 0.39
KAT8 Q9H7Z6 1/20 0.39
AOC1 P19801 2/20 0.39
AOC3 Q16853 2/20 0.39
LMNA P02545 2/20 0.36

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
SCHEMBL29958176 1.00 GAA (0.46) GAAALDH1A1MAPTKDM4ETDP1
Hydrochloric Acid SCHEMBL1301715 0.98 GAA (0.45) GAAALDH1A1MAPTKDM4ETDP1
Hydrochloric Acid SCHEMBL29956207 0.98 GAA (0.45) GAAALDH1A1MAPTKDM4ETDP1
SCHEMBL29957033 0.82 ALDH1A1 (0.45) GAAALDH1A1MAPTKDM4ETDP1
SCHEMBL1896645 0.82 ALDH1A1 (0.45) GAAALDH1A1MAPTKDM4ETDP1
SCHEMBL29628428 0.74 SIRT3 (0.45) GAATDP1CYP2D6CYP1A2CYP3A4
SCHEMBL248787 0.74 SIRT3 (0.45) GAATDP1CYP2D6CYP1A2CYP3A4
SCHEMBL28376434 0.74 KDM4E (0.38) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL1129426 0.73 LOXL2 (0.38) LMNA
Hydrochloric Acid SCHEMBL15953194 0.73 SIRT3 (0.44) GAATDP1CYP2D6CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425491-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS DRAIG THERAPEUTICS LTD (GB) 2024-12-26 US disclosed
EP-4334301-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS University College Cardiff Consultants Limited (GB) 2024-03-13 EP disclosed
CN-117279908-A Heteroaryl compounds for the treatment of cognitive disorders 加的夫大学学院咨询有限公司 2023-12-22 CN disclosed
WO-2022234271-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-11-10 WO disclosed
EP-2593453-B1 AZAINDAZOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2014-09-17 EP disclosed
US-8673922-B2 Azaindazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-18 US disclosed
US-20130184254-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
CN-103140490-A Azaindazole compounds BRISTOL MYERS SQUIBB CO 2013-06-05 CN disclosed
EP-2593453-A1 AZAINDAZOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2013-05-22 EP disclosed
US-8168802-B2 Ring closing and related methods and intermediates 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-01 US disclosed
US-8168802-B2 Ring closing and related methods and intermediates 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-01 US disclosed
WO-2012009510-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 WO disclosed
US-20110269965-A1 Ring Closing and Related Methods and Intermediates COLEY PHARMACEUTICAL GROUP, INC. (US) 2011-11-03 US disclosed
US-20110269965-A1 Ring Closing and Related Methods and Intermediates COLEY PHARMACEUTICAL GROUP, INC. (US) 2011-11-03 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 (3 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-20110269965-A1 Ring Closing and Related Methods and Intermediates CYP11B1, CYP11B2, CYP2F1 GAA 1592/4885ALDH1A1 420/4885MAPT 3245/4885
US-20130184254-A1 AZAINDAZOLE COMPOUNDS CYP3A4, CYP4B1, CYP3A43 GAA 1323/4885ALDH1A1 143/4885MAPT 4827/4885
US-20240425491-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS GABRA5, GABRB3, GABRA3 GAA 1976/4885ALDH1A1 1189/4885MAPT 1383/4885

“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.