SCHEMBL19133451

SCHEMBL19133451

CN[C@H]1CN(Cc2ccccc2)CC12CC2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ GAA P10253 1/20 0.43
▸ SCN1A P35498 1/20 0.42
▸ SCN8A Q9UQD0 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ FUCA1 P04066 2/20 0.41
▸ CXCR3 P49682 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MC4R P32245 1/20 0.40
▸ CYP2D6 P10635 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
SCHEMBL19614040 1.00 JAK2 (0.45) JAK2JAK1GAASCN1ASCN8A
SCHEMBL19133453 1.00 JAK2 (0.45) JAK2JAK1GAASCN1ASCN8A
SCHEMBL19613995 0.81 DRD4 (0.44) SCN1ASCN8ASIGMAR1FUCA1MEN1
SCHEMBL19613994 0.81 DRD4 (0.44) SCN1ASCN8ASIGMAR1FUCA1MEN1
SCHEMBL9057155 0.81 MEN1 (0.46) GAASIGMAR1FUCA1CXCR3ACHE
SCHEMBL9057157 0.81 MEN1 (0.46) GAASIGMAR1FUCA1CXCR3ACHE
SCHEMBL12167511 0.80 ACHE (0.49) JAK2JAK1GAASIGMAR1FUCA1
SCHEMBL14302494 0.80 ACHE (0.49) JAK2JAK1GAASIGMAR1FUCA1
SCHEMBL31598442 0.79 NPY2R (0.42) JAK2JAK1GAASCN1ASCN8A
SCHEMBL1189631 0.79 JAK2 (0.56) JAK2JAK1GAASCN1ASCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10081635-B2 Substituted N-(pyrrolidine-3-yl)-7H-pyrrolo[2,3-D]pyrimidine-4-amine as janus kinase inhibitor YANG JI CHEMICAL CO., LTD. (KR) 2018-09-25 — — US disclosed
US-20170283421-A1 SUBSTITUTED N-(PYRROLIDINE-3-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE-4-AMINE AS JANUS KINASE INHIBITOR YANG JI CHEMICAL CO., LTD. (KR) 2017-10-05 — — US disclosed
EP-3196199-A2 SUBSTITUTED N-(PYRROLIDINE-3-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE-4-AMINE AS JANUS KINASE INHIBITOR Yang Ji Chemical Co., Ltd. (KR) 2017-07-26 — — EP 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-20170283421-A1 SUBSTITUTED N-(PYRROLIDINE-3-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE-4-AMINE AS JANUS KINASE INHIBITOR JAK3, JAK2, JAK1 JAK2 2/4885JAK1 3/4885GAA 3894/4885
US-10081635-B2 Substituted N-(pyrrolidine-3-yl)-7H-pyrrolo[2,3-D]pyrimidine-4-amine as janus kinase inhibitor JAK3, JAK2, JAK1 JAK2 2/4885JAK1 3/4885GAA 3894/4885

“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.

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