SCHEMBL88806

SCHEMBL88806

c1cc2nnccc2cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
DYRK1A Q13627 1/20 0.40
KDM4E B2RXH2 3/20 0.34
HTT P42858 2/20 0.34
PRKCZ Q05513 1/20 0.34
POLB P06746 1/20 0.34
RAD52 P43351 1/20 0.34
NCOA3 Q9Y6Q9 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NCOA1 Q15788 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33

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
SCHEMBL29600545 1.00 CLK1 (0.40) CLK1CSNK1DCSNK1EDYRK1AKDM4E
SCHEMBL29600021 0.83 CLK1 (0.37) CLK1CSNK1DCSNK1EDYRK1AKDM4E
SCHEMBL12460 0.83 CLK1 (0.37) CLK1CSNK1DCSNK1EDYRK1AKDM4E
Isoquinoline SCHEMBL7076555 0.81 EGFR (0.39) CLK1CSNK1DCSNK1EDYRK1AKDM4E
SCHEMBL24987044 0.76 MAP4K4 (0.48) CLK1CSNK1DCSNK1EDYRK1AKDM4E
SCHEMBL6120009 0.75 LOXL2 (0.31)
Isoquinoline SCHEMBL6529066 0.74 ALDH1A1 (0.55) CLK1CSNK1DCSNK1EDYRK1AKDM4E
SCHEMBL1284991 0.74 PDE3B (0.35) CLK1CSNK1DCSNK1EDYRK1AKDM4E
SCHEMBL29599750 0.74 PDE3B (0.35) CLK1CSNK1DCSNK1EDYRK1AKDM4E
SCHEMBL18099782 0.74 IMPDH2 (0.43) CLK1CSNK1DDYRK1AKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250250282-A1 NOVEL SEVEN-MEMBERED RING-FUSED COMPOUNDS Prism BioLab Co., Ltd. (JP) 2025-08-07 US disclosed
US-20240309006-A1 NOVEL BICYCLIC COMPOUNDS Prism BioLab Co., Ltd. (JP) 2024-09-19 US disclosed
US-12012467-B2 Small molecule DCN1 inhibitors and therapeutic methods using the same REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-06-18 US disclosed
EP-4289813-A2 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2023-12-13 EP disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230374034-A1 NOVEL BICYCLIC COMPOUNDS Prism BioLab Co., Ltd. (JP) 2023-11-23 US disclosed
US-20230348467-A1 Heteroaryl Derivative, Preparation Method Therefor, And Use Thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-02 US disclosed
US-20230348467-A1 Heteroaryl Derivative, Preparation Method Therefor, And Use Thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-02 US disclosed
US-20230295163-A1 TETRACYCLIC DERIVATIVE, METHOD FOR PREPARING SAME AND USE THEREOF IN MEDICINE ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-09-21 US disclosed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 WO disclosed
WO-2006125621-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-30 WO disclosed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 WO disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 WO disclosed
WO-2006094763-A1 3,4,5-SUBSTITUTED PIPERIDINE COMPOUNDS NOVARTIS AG (CH) 2006-09-14 WO disclosed
WO-2006074924-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES NOVARTIS AG (CH) 2006-07-20 WO disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 WO disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO disclosed
US-3879392-A Pyrido(4,3-c)pyridazine compounds YOSHITOMI PHARMACEUTICAL 1975-04-22 US disclosed
US-3879392-A Pyrido(4,3-c)pyridazine compounds YOSHITOMI PHARMACEUTICAL 1975-04-22 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 (7 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-20230374034-A1 NOVEL BICYCLIC COMPOUNDS NOTCH1, NOTCH2, HES1 CLK1 2725/4885CSNK1D 1445/4885CSNK1E 1452/4885
US-20230295163-A1 TETRACYCLIC DERIVATIVE, METHOD FOR PREPARING SAME AND USE THEREOF IN MEDICINE KRAS, NRAS, RHOA CLK1 1474/4885CSNK1D 798/4885CSNK1E 867/4885
US-20240309006-A1 NOVEL BICYCLIC COMPOUNDS NOTCH1, NOTCH2, HES1 CLK1 2790/4885CSNK1D 1476/4885CSNK1E 1499/4885
US-20250250282-A1 NOVEL SEVEN-MEMBERED RING-FUSED COMPOUNDS NOTCH1, NOTCH2, NOTCH4 CLK1 3453/4885CSNK1D 1768/4885CSNK1E 1622/4885
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 CLK1 3919/4885CSNK1D 3663/4885CSNK1E 3244/4885
US-12012467-B2 Small molecule DCN1 inhibitors and therapeutic methods using the same DCUN1D2, CLN6, CAPNS1 CLK1 1432/4885CSNK1D 2320/4885CSNK1E 1273/4885
US-20230348467-A1 Heteroaryl Derivative, Preparation Method Therefor, And Use Thereof PTPN11, PTPN1, PTPN7 CLK1 2931/4885CSNK1D 1074/4885CSNK1E 686/4885

“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.