SCHEMBL1376865

SCHEMBL1376865

CC1CCN(Cc2ccccc2)CC1CNc1ncnc2[nH]ccc12

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.62
JAK3 P52333 14/20 0.62
JAK1 P23458 13/20 0.62
TYK2 P29597 9/20 0.62
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
HIF1A Q16665 1/20 0.54
BTK Q06187 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
SCHEMBL1120768 1.00 JAK2 (0.62) JAK2JAK3JAK1TYK2CYP1A2
SCHEMBL4064021 0.91 JAK1 (0.52) JAK2JAK3JAK1TYK2CYP1A2
SCHEMBL4072654 0.90 JAK3 (0.51) JAK2JAK3JAK1TYK2CYP1A2
SCHEMBL4072912 0.90 BTK (0.51) JAK2JAK3JAK1TYK2CYP1A2
SCHEMBL4072931 0.89 JAK3 (0.50) JAK2JAK3JAK1TYK2CYP1A2
SCHEMBL4068075 0.89 JAK1 (0.49) JAK2JAK3JAK1TYK2CYP1A2
SCHEMBL4073198 0.88 JAK3 (0.48) JAK2JAK3JAK1TYK2CYP1A2
SCHEMBL4073742 0.88 JAK1 (0.53) JAK2JAK3JAK1TYK2
SCHEMBL5338094 0.87 JAK3 (0.50) JAK2JAK3JAK1TYK2CYP1A2
SCHEMBL4066497 0.87 JAK3 (0.56) JAK2JAK3JAK1TYK2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10829450-B2 Process for the preparation of (3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine UNICHEM LABORATORIES LIMITED (IN) 2020-11-10 US claimed
US-11827598-B1 Preparation method of tofacitinib citrate CHUNGHWA CHEMICAL SYNTHESIS & BIOTECH CO. LTD. (TW) 2023-11-28 US disclosed
US-20220402924-A1 PROCESS FOR THE PREPARATION OF TOFACITINIB AND INTERMEDIATES THEREOF AARTI PHARMALABS LIMITED (IN) 2022-12-22 US disclosed
WO-2021084556-A1 Process for the preparation of tofacitinib and intermediates thereof AARTI INDUSTRIES LIMITED (IN) 2021-05-06 WO disclosed
EP-3539965-B1 AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LAB LTD (IN) 2021-01-20 EP disclosed
US-10829450-B2 Process for the preparation of (3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine UNICHEM LABORATORIES LIMITED (IN) 2020-11-10 US disclosed
EP-3539965-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LABORATORIES LIMITED (IN) 2019-09-18 EP disclosed
US-20180134661-A1 Process for the Preparation of (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LAB LTD (IN) 2018-05-17 US disclosed
US-9951012-B2 Process for the preparation of (3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine UNICHEM LABORATORIES LIMITED (IN) 2018-04-24 US disclosed
US-20180037551-A1 Process for the Preparation of (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LAB LTD (IN) 2018-02-08 US disclosed
EP-1382339-A1 Compositions containing pyrrolo [2,3-d] pyrimidine derivatives Pfizer Products Inc. (US) 2004-01-21 EP disclosed
EP-1235830-B1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS PROTEIN KINASES INHIBITORS PFIZER PROD INC (US) 2004-01-02 EP disclosed
US-20030220353-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2003-11-27 US disclosed
US-6627754-B2 Immunosuppressants; organ transplant; CP 690550 which is 3-(4-Methyl-3-(methyl-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-amino)-piperidin-1-yl)-3-oxo-propionitrile PFIZER INC. 2003-09-30 US disclosed
EP-1294724-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS AS IMMUNOSUPPRESSIVE AGENTS Pfizer Products Inc. (US) 2003-03-26 EP disclosed
EP-1235830-A2 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2002-09-04 EP disclosed
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-06-06 US disclosed
WO-2002000661-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS IMMUNOSUPPRESSIVE AGENTS PFIZER PRODUCTS INC. (US) 2002-01-03 WO disclosed
US-20010053782-A1 Immunosuppressants; organ transplant BLUMENKOPF TODD A (US) 2001-12-20 US disclosed
WO-2001042246-A2 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2001-06-14 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 (8 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-20180037551-A1 Process for the Preparation of (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE KDM4D, KDM4A, KDM4C JAK2 1226/4885JAK3 1107/4885JAK1 1103/4885
US-20180134661-A1 Process for the Preparation of (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE KDM4D, KDM4A, KDM4C JAK2 1226/4885JAK3 1107/4885JAK1 1103/4885
US-10829450-B2 Process for the preparation of (3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine KDM4D, KDM4A, KDM4C JAK2 1226/4885JAK3 1107/4885JAK1 1103/4885
US-20030220353-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 JAK2 6/4885JAK3 3/4885JAK1 1/4885
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 JAK2 6/4885JAK3 3/4885JAK1 1/4885
US-11827598-B1 Preparation method of tofacitinib citrate JAK3, JAK2, JAK1 JAK2 2/4885JAK3 1/4885JAK1 3/4885
US-20010053782-A1 Immunosuppressants; organ transplant JAK1, JAK3, TPMT JAK2 14/4885JAK3 2/4885JAK1 1/4885
US-20220402924-A1 PROCESS FOR THE PREPARATION OF TOFACITINIB AND INTERMEDIATES THEREOF MCCC2, JAK1, JAK3 JAK2 12/4885JAK3 3/4885JAK1 2/4885

“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.