SCHEMBL2146145

SCHEMBL2146145

O=C(NCC(F)(F)F)C1CCNC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EPHX2 P34913 1/20 0.38
PREP P48147 1/20 0.36
APOL1 O14791 1/20 0.36
JAK1 P23458 3/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 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
SCHEMBL2146136 1.00 HTR2C (0.52) HTR2CSMN1; SMN2GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL2146425 0.98 HTR2C (0.51) HTR2CSMN1; SMN2GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL2146434 0.98 HTR2C (0.51) HTR2CSMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL15421949 0.90 SLC6A1 (0.49) HTR2CSMN1; SMN2HSD17B10JAK1TSHR
SCHEMBL15421898 0.89 GNAI3 (0.49) HTR2CSMN1; SMN2GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL28446460 0.89 SLC6A1 (0.47) HTR2CSMN1; SMN2HSD17B10JAK1TSHR
Hydrochloric Acid SCHEMBL28439551 0.88 GNAI3 (0.51) HTR2CSMN1; SMN2GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL21640562 0.85 SMN1; SMN2 (0.40) HTR2CSMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL29516447 0.85 HTR2C (0.51) HTR2CSMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL4635091 0.83 SMN1; SMN2 (0.47) HTR2CSMN1; SMN2GNAI3GNAO1GNAI1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3919494-B1 JANUS KINASE (JAK) FAMILY INHIBITOR, PREPARATION OF SAME, AND APPLICATIONS THEREOF JIANGSU VCARE PHARMATECH CO LTD (CN) 2023-05-24 EP disclosed
US-20220177467-A1 Janus Kinase (JAK) Family Inhibitor, Preparation of Same, and Applications Thereof JIANGSU VCARE PHARMATECH CO., LTD. (CN) 2022-06-09 US disclosed
EP-3919494-A1 JANUS KINASE (JAK) FAMILY INHIBITOR, PREPARATION OF SAME, AND APPLICATIONS THEREOF Jiangsu Vcare Pharmatech Co., Ltd (CN) 2021-12-08 EP disclosed
CN-108349977-B JAK inhibitors 无锡福祈制药有限公司 2021-05-25 CN disclosed
WO-2020156271-A1 JANUS KINASE (JAK) FAMILY INHIBITOR, PREPARATION OF SAME, AND APPLICATIONS THEREOF 江苏威凯尔医药科技有限公司 2020-08-06 WO disclosed
WO-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 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-20220177467-A1 Janus Kinase (JAK) Family Inhibitor, Preparation of Same, and Applications Thereof JAK1, JAK3, JAK2 HTR2C 3107/4885SMN1; SMN2 4714/4885GNAI3 1143/4885

“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.