SCHEMBL18937320

SCHEMBL18937320

CN1CCC(Oc2ccc(N)nc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.51
CLK2 P49760 1/20 0.49
CLK3 P49761 1/20 0.49
DYRK1A Q13627 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
HSF1 Q00613 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ACVR1 Q04771 2/20 0.42
TGFBR1 P36897 1/20 0.42
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
ACVRL1 P37023 1/20 0.40
CHRM4 P08173 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CHEK2 O96017 1/20 0.40

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
SCHEMBL24322991 0.92 CLK2 (0.44) HRH3CLK2CLK3DYRK1ASMN1; SMN2
SCHEMBL22663476 0.85 MPO (0.42) CLK2CLK3DYRK1ACYP4F2CYP4A11
SCHEMBL22198920 0.83 CHRM4 (0.55) HRH3SMN1; SMN2CHRM4
SCHEMBL17654136 0.82 CHRM4 (0.41) CHRM4
SCHEMBL31508102 0.82 PARP10 (0.46)
SCHEMBL10255943 0.82 PARP10 (0.46)
SCHEMBL4018813 0.82 MCHR1 (0.43)
SCHEMBL18937319 0.81 HRH3 (0.51) HRH3SMN1; SMN2CCNE1CDK2HSF1
SCHEMBL29350110 0.81 HRH3 (0.51) HRH3SMN1; SMN2CCNE1CDK2HSF1
SCHEMBL15780659 0.81 CHRNA3 (0.54) HRH3SMN1; SMN2CCNE1CDK2HSF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3930838-B1 N-(PYRIDINYL)ACETAMIDE DERIVATIVES AS P300/CBP HAT INHIBITORS AND METHODS FOR THEIR USE CONSTELLATION PHARMACEUTICALS INC (US) 2024-07-10 EP disclosed
CN-113727756-B P300/CBP HAT inhibitors and methods of use thereof 星座制药公司 2024-07-02 CN disclosed
US-11787801-B2 Protein kinase inhibitors, preparation method and medical use thereof GAN & LEE PHARMACEUTICALS (CN) 2023-10-17 US disclosed
US-11787801-B2 Protein kinase inhibitors, preparation method and medical use thereof GAN & LEE PHARMACEUTICALS (CN) 2023-10-17 US disclosed
US-11787801-B2 Protein kinase inhibitors, preparation method and medical use thereof GAN & LEE PHARMACEUTICALS (CN) 2023-10-17 US disclosed
CN-113956238-B Protein kinase inhibitor and preparation method and medical application thereof 甘李药业股份有限公司 2023-07-14 CN disclosed
EP-3385262-B1 4-(3H-INDOL-5-YL)-N-(PYRIDIN-2-YL)PYRIMIDIN-2-AMINE DERIVATIVES AS PROTEIN KINASE INHIBITORS, PREPARATION METHOD AND MEDICAL USE THEREOF GAN & LEE PHARMACEUTICALS (CN) 2022-07-13 EP disclosed
US-11351170-B2 Substituted pyrimidines as CDK4/6 inhibitors BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2022-06-07 US disclosed
CN-108290864-B Protein kinase inhibitor and preparation method and medical application thereof 甘李药业股份有限公司 2022-05-10 CN disclosed
US-20220135538-A1 P300/CBP HAT INHIBITORS AND METHODS FOR THEIR USE CONSTELLATION PHARMACEUTICALS, INC. 2022-05-05 US disclosed
US-20210371418-A1 PROTEIN KINASE INHIBITORS, PREPARATION METHOD AND MEDICAL USE THEREOF GAN & LEE PHARMACEUTICALS (CN) 2021-12-02 US disclosed
US-20210371418-A1 PROTEIN KINASE INHIBITORS, PREPARATION METHOD AND MEDICAL USE THEREOF GAN & LEE PHARMACEUTICALS (CN) 2021-12-02 US disclosed
CN-113727756-A P300/CBP HAT inhibitors and methods of use thereof 星座制药公司 2021-11-30 CN disclosed
US-11091476-B2 Protein kinase inhibitors, preparation method and medical use thereof GAN & LEE PHARMACEUTICALS 2021-08-17 US disclosed
US-20210128555-A1 CDK4/6 INHIBITORS AND USE THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2021-05-06 US disclosed
US-20200165239-A1 PROTEIN KINASE INHIBITORS, PREPARATION METHOD AND MEDICAL USE THEREOF GAN & LEE PHARMACEUTICALS (CN) 2020-05-28 US disclosed
US-20200165239-A1 PROTEIN KINASE INHIBITORS, PREPARATION METHOD AND MEDICAL USE THEREOF GAN & LEE PHARMACEUTICALS (CN) 2020-05-28 US disclosed
WO-2019035008-A1 CDK4/6 INHIBITORS AND USE THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2019-02-21 WO disclosed
EP-3385262-A1 PROTEIN KINASE INHIBITOR, PREPARATION METHOD AND MEDICAL USE THEREOF Gan & Lee Pharmaceuticals (CN) 2018-10-10 EP disclosed
WO-2017092635-A1 PROTEIN KINASE INHIBITOR, PREPARATION METHOD AND MEDICAL USE THEREOF 甘李药业股份有限公司 2017-06-08 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 (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-11091476-B2 Protein kinase inhibitors, preparation method and medical use thereof ROR1, DMPK, CDK9 HRH3 2629/4885CLK2 167/4885CLK3 151/4885
US-20210371418-A1 PROTEIN KINASE INHIBITORS, PREPARATION METHOD AND MEDICAL USE THEREOF ROR1, DMPK, CDK9 HRH3 2629/4885CLK2 167/4885CLK3 151/4885
US-20200165239-A1 PROTEIN KINASE INHIBITORS, PREPARATION METHOD AND MEDICAL USE THEREOF ROR1, DMPK, CDK9 HRH3 2629/4885CLK2 167/4885CLK3 151/4885
US-11787801-B2 Protein kinase inhibitors, preparation method and medical use thereof ROR1, DMPK, CDK9 HRH3 2629/4885CLK2 167/4885CLK3 151/4885
US-11351170-B2 Substituted pyrimidines as CDK4/6 inhibitors CDK4, CDK6, CDK2 HRH3 2356/4885CLK2 777/4885CLK3 1325/4885
US-20220135538-A1 P300/CBP HAT INHIBITORS AND METHODS FOR THEIR USE EP300, KAT2A, HDAC1 HRH3 446/4885CLK2 1770/4885CLK3 3393/4885
US-20210128555-A1 CDK4/6 INHIBITORS AND USE THEREOF CDK4, CDK6, CDK1 HRH3 2654/4885CLK2 495/4885CLK3 752/4885

“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.