SCHEMBL29993245

SCHEMBL29993245

N#Cc1ncnc2[nH]ncc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.55
RET P07949 1/20 0.55
PI4KA P42356 1/20 0.55
LRRK2 Q5S007 1/20 0.55
PI4K2B Q8TCG2 1/20 0.55
PI4K2A Q9BTU6 1/20 0.55
PI4KB Q9UBF8 1/20 0.55
PDPK1 O15530 1/20 0.50
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGDS O60760 1/20 0.44
MKNK1 Q9BUB5 3/20 0.41
CYP1A2 P05177 2/20 0.41
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
CCNA1 P78396 1/20 0.41

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
SCHEMBL29994414 0.81 XDH (0.39) XDHRETPI4KALRRK2PI4K2B
SCHEMBL29993650 0.81 RET (0.35) XDHRETPI4KALRRK2PI4K2B
SCHEMBL29761000 0.74 RET (0.41) XDHRETPI4KALRRK2PI4K2B
SCHEMBL15504523 0.74 XDH (0.61) XDHRETPI4KALRRK2PI4K2B
Tisopurine SCHEMBL8628339 0.72 XDH (0.59) XDHRETPI4KALRRK2PI4K2B
Tisopurine SCHEMBL8628336 0.72 XDH (0.59) XDHRETPI4KALRRK2PI4K2B
SCHEMBL29402652 0.72 KDM4E (0.34) XDHRETPI4KALRRK2PI4K2B
SCHEMBL4553675 0.72 KDM4E (0.34) XDHRETPI4KALRRK2PI4K2B
SCHEMBL11363 0.71 XDH (1.00) XDHRETPI4KALRRK2PI4K2B
SCHEMBL29351045 0.71 XDH (1.00) XDHRETPI4KALRRK2PI4K2B

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-20230348467-A1 Heteroaryl Derivative, Preparation Method Therefor, And Use Thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-02 US disclosed
CN-116323622-A Bicyclic heteroaryl derivatives, preparation method and application thereof 浙江海正药业股份有限公司 2023-06-23 CN disclosed
EP-4092019-A1 HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2022-11-23 EP disclosed
WO-2022237178-A1 BICYCLIC HETEROARYL DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2022-11-17 WO 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-20230348467-A1 Heteroaryl Derivative, Preparation Method Therefor, And Use Thereof PTPN11, PTPN1, PTPN7 XDH 1259/4885RET 271/4885PI4KA 306/4885

“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.