SCHEMBL19823045

SCHEMBL19823045

c1cnc2[nH]cc(-c3ccc(CN4CCCC4)cc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 4/20 0.54
RET P07949 2/20 0.53
CAMKK2 Q96RR4 2/20 0.52
CDK2 P24941 4/20 0.50
CDK9 P50750 3/20 0.50
CCNT1 O60563 2/20 0.50
CCNA2 P20248 2/20 0.50
OPRM1 P35372 1/20 0.50
DRD4 P21917 3/20 0.49
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
HTR2A P28223 2/20 0.49
MAP3K11 Q16584 2/20 0.48
MAP3K9 P80192 1/20 0.48
ROCK2 O75116 2/20 0.48
PIM1 P11309 2/20 0.48
PRKACA P17612 2/20 0.48
GSK3B P49841 2/20 0.48
HIPK2 Q9H2X6 2/20 0.48
IRAK4 Q9NWZ3 2/20 0.48

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
SCHEMBL19823044 0.89 LRRK2 (0.59) TNIKCAMKK2CDK2CDK9CCNT1
SCHEMBL19823067 0.89 TNIK (0.68) TNIKRETCDK2MAP3K11MAP3K9
SCHEMBL19823109 0.88 TNIK (0.53) TNIKCAMKK2CDK2OPRM1DRD4
SCHEMBL19823047 0.87 TNIK (0.49) TNIKRETCAMKK2CDK2CDK9
SCHEMBL19823048 0.87 TNIK (0.52) TNIKCAMKK2OPRM1DRD4DRD2
SCHEMBL31258374 0.84 CNR2 (0.55) TNIKRETCAMKK2CDK2CDK9
SCHEMBL21044844 0.82 CAMKK2 (0.54) TNIKRETCAMKK2CDK2CDK9
SCHEMBL4790060 0.81 NEK1 (0.59) RETCDK9ROCK2PRKACAMAP4K4
SCHEMBL31735093 0.81 NEK1 (0.59) RETCDK9ROCK2PRKACAMAP4K4
SCHEMBL4790023 0.80 NEK1 (0.61) RETCDK9PRKACAMAP4K4DYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11279699-B2 Compound as selective JAK inhibitor, and salt and therapeutic use thereof SUZHOU LONGBIOTECH PHARMACEUTICALS CO., LTD. (CN) 2022-03-22 US disclosed
EP-3492469-B1 COMPOUND AS SELECTIVE JAK INHIBITOR, AND SALT AND THERAPEUTIC USE THEREOF SUZHOU LONGBIOTECH PHARMACEUTICALS CO LTD (CN) 2021-12-01 EP disclosed
US-20200190080-A1 COMPOUND AS SELECTIVE JAK INHIBITOR, AND SALT AND THERAPEUTIC USE THEREOF TIANJIN LONGBOGENE PHARMACEUTICAL CO., LTD. (CN) 2020-06-18 US disclosed
EP-3492469-A1 COMPOUND AS SELECTIVE JAK INHIBITOR, AND SALT AND THERAPEUTIC USE THEREOF Tianjin Longbogene Pharmaceutical Co., Ltd. (CN) 2019-06-05 EP disclosed
WO-2018019223-A1 COMPOUND AS SELECTIVE JAK INHIBITOR, AND SALT AND THERAPEUTIC USE THEREOF 张文燕 2018-02-01 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-20200190080-A1 COMPOUND AS SELECTIVE JAK INHIBITOR, AND SALT AND THERAPEUTIC USE THEREOF JAK1, JAK2, JAK3 TNIK 397/4885RET 47/4885CAMKK2 989/4885
US-11279699-B2 Compound as selective JAK inhibitor, and salt and therapeutic use thereof JAK1, JAK2, JAK3 TNIK 397/4885RET 47/4885CAMKK2 989/4885

“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.