SCHEMBL30184324

SCHEMBL30184324

O=C(O)c1cnn2cc(-c3ccccc3)cnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.56
PDE2A O00408 3/20 0.53
BMP4 P12644 2/20 0.50
PRKAB1 Q9Y478 2/20 0.48
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
ACVR1 Q04771 2/20 0.46
TGFBR1 P36897 1/20 0.46
MAOB P27338 1/20 0.46
GAK O14976 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.44
BMPR1B O00238 1/20 0.43
BMPR1A P36894 1/20 0.43
ACVRL1 P37023 1/20 0.43

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
SCHEMBL4474846 0.83 KDR (0.65) KDRPDE2ABMP4PRKAB1FLT1
SCHEMBL30184311 0.82 ALDH1A1 (0.59) KDRPDE2AMAOB
SCHEMBL5914348 0.81 PDE2A (0.53) KDRPDE2ABMP4PRKAB1PRKAB2
SCHEMBL5416682 0.80 KDR (0.67) KDRBMP4PRKAB1PRKAB2PRKAG1
SCHEMBL3093126 0.77 JAK2 (0.48)
SCHEMBL10185302 0.77 CAMKK2 (0.46) KDRPDE2ABMP4PRKAB1PRKAB2
SCHEMBL13818129 0.77 KDR (0.59) KDRBMP4PRKAB1PRKAB2PRKAG1
SCHEMBL12505413 0.76 IRAK4 (0.43) PDE2APRKAB1PRKAB2PRKAG1PRKAA2
SCHEMBL23988794 0.75 KDR (0.54) KDRBMP4PRKAB1ACVR1TGFBR1
SCHEMBL13818133 0.75 KDR (0.46) KDRPDE2AMAOBGAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD (CN) 2023-07-13 US disclosed
CN-116063305-A Macrocyclic compounds with BTK and/or RET activity and their use in medicine 赛诺哈勃药业(成都)有限公司 2023-05-05 CN disclosed
EP-4163283-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF Scinnohub Pharmaceutical Co., Ltd (CN) 2023-04-12 EP disclosed
CN-113754682-B Compound having macrocyclic structure and use thereof 赛诺哈勃药业(成都)有限公司 2023-01-06 CN 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 (1 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-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF BTK, SRC, YES1 KDR 638/4885PDE2A 3256/4885BMP4 3568/4885

“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.