SCHEMBL2728002

SCHEMBL2728002

N#Cc1ccc2nsnc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.48
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
APP P05067 3/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PIN1 Q13526 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
DYRK1A Q13627 1/20 0.37
RAD51 Q06609 1/20 0.37
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
PTPN1 P18031 2/20 0.36
CSNK1A1 P48729 2/20 0.35
CSNK1D P48730 1/20 0.35
GSK3B P49841 1/20 0.35
CSNK1G2 P78368 1/20 0.35
DAPK3 O43293 1/20 0.35

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
SCHEMBL6787058 0.78 PTPN11 (0.48) PTPN11TXNRD1TXNRD3TXNRD2KDM4E
SCHEMBL6786957 0.72 PTPN11 (0.42) PTPN11TXNRD1TXNRD3TXNRD2KDM4E
SCHEMBL257286 0.72 PTPN11 (0.48) PTPN11TXNRD1TXNRD3TXNRD2KDM4E
SCHEMBL15197891 0.71 PIN1 (0.42) APPKDM4EALDH1A1PIN1GLA
SCHEMBL622637 0.71 CDK5 (0.47) KDM4EALDH1A1PIN1GLAGAA
SCHEMBL1420076 0.70 KCNJ1 (0.53) APPKDM4EALDH1A1PIN1GLA
SCHEMBL29498337 0.70 DYRK1A (0.48) KDM4EALDH1A1PIN1GLAGAA
SCHEMBL29392214 0.70 NQO2 (0.50) KDM4EALDH1A1PIN1GLAGAA
SCHEMBL1996329 0.70 NQO2 (0.50) KDM4EALDH1A1PIN1GLAGAA
Methane SCHEMBL28258537 0.70 CDK5 (0.46) KDM4EALDH1A1PIN1GLAGAA

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
EP-2897183-B1 CONJUGATED POLYMERS AND THEIR USE IN OPTOELECTRONIC DEVICES RAYNERGY TEK INC (TW) 2020-04-29 EP disclosed
EP-2897183-B1 CONJUGATED POLYMERS AND THEIR USE IN OPTOELECTRONIC DEVICES RAYNERGY TEK INC (TW) 2020-04-29 EP disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
EP-2828904-B1 CONJUGATED POLYMERS AND THEIR USE IN OPTOELECTRONIC DEVICES RAYNERGY TEK INC (TW) 2019-06-12 EP disclosed
EP-2828904-B1 CONJUGATED POLYMERS AND THEIR USE IN OPTOELECTRONIC DEVICES RAYNERGY TEK INC (TW) 2019-06-12 EP disclosed
WO-2013142835-A1 CONJUGATED POLYMERS AND THEIR USE IN OPTOELECTRONIC DEVICES POLYERA CORPORATION (US) 2013-09-26 WO disclosed
US-20130247990-A1 Conjugated Polymers and Their Use in Optoelectronic Devices RAYNERGY TEK INC. (TW) 2013-09-26 US disclosed
US-20130247990-A1 Conjugated Polymers and Their Use in Optoelectronic Devices RAYNERGY TEK INC. (TW) 2013-09-26 US disclosed
EP-2630676-A1 CONJUGATED POLYMERS AND THEIR USE IN OPTOELECTRONIC DEVICES Polyera Corporation (US) 2013-08-28 EP disclosed
US-20130200354-A1 Conjugated Polymers and Their Use in Optoelectronic Devices POLYERA CORPORATION (US) 2013-08-08 US disclosed
US-20130200355-A1 Conjugated Polymers and Their Use in Optoelectronic Devices POLYERA CORPORATION (US) 2013-08-08 US disclosed
US-20130200355-A1 Conjugated Polymers and Their Use in Optoelectronic Devices POLYERA CORPORATION (US) 2013-08-08 US disclosed
US-20130200354-A1 Conjugated Polymers and Their Use in Optoelectronic Devices POLYERA CORPORATION (US) 2013-08-08 US disclosed
WO-2012054910-A1 CONJUGATED POLYMERS AND THEIR USE IN OPTOELECTRONIC DEVICES POLYERA CORPORTION (US) 2012-04-26 WO disclosed
WO-2012054910-A1 CONJUGATED POLYMERS AND THEIR USE IN OPTOELECTRONIC DEVICES POLYERA CORPORTION (US) 2012-04-26 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 (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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 PTPN11 4087/4885TXNRD1 876/4885TXNRD3 113/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 PTPN11 4087/4885TXNRD1 876/4885TXNRD3 113/4885

“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.