SCHEMBL21156607

SCHEMBL21156607

Cc1ccc(B(O)O)c(N)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
CCR1 P32246 1/20 0.37
RAB9A P51151 1/20 0.37
CCR5 P51681 1/20 0.37
KDM4E B2RXH2 4/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36
USP2 O75604 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TKT P29401 7/20 0.33
IKBKB O14920 1/20 0.33
LIMK1 P53667 1/20 0.33
METAP2 P50579 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL29953187 1.00 NOS3 (0.38) NOS3NOS2CCR1RAB9ACCR5
SCHEMBL489376 0.76 CCR1 (0.40) NOS3NOS2CCR1RAB9ACCR5
SCHEMBL30788696 0.76 CCR1 (0.40) NOS3NOS2CCR1RAB9ACCR5
SCHEMBL14929718 0.76
SCHEMBL29954275 0.74 KDM4E (0.39) CCR1RAB9ACCR5KDM4ELMNA
SCHEMBL114582 0.73 RAB9A (0.37) CCR1RAB9ACCR5KDM4ELMNA
SCHEMBL1922455 0.73 CCR1 (0.37) CCR1RAB9ACCR5KDM4EPOLB
SCHEMBL29652865 0.73 RAB9A (0.37) CCR1RAB9ACCR5KDM4ELMNA
SCHEMBL29955515 0.72 NNMT (0.41) RAB9AKDM4ELMNAPOLBKMT2A
SCHEMBL222185 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968215-B2 Pyrido five-element aromatic ring compound, preparation method therefor and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2021-04-06 US disclosed
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF HAIHE BIOPHARMA CO. LTD. (CN) 2019-07-11 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 (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-10968215-B2 Pyrido five-element aromatic ring compound, preparation method therefor and use thereof EZH2, IKZF2, SUZ12 NOS3 3907/4885NOS2 3767/4885CCR1 3162/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 NOS3 3907/4885NOS2 3767/4885CCR1 3162/4885

“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.