SCHEMBL15077590

SCHEMBL15077590

CN(c1ncnc2[nH]ccc12)[C@@H]1C[C@H]2CN(C(=O)CO)C[C@@]2(C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 18/20 1.00
▸ JAK3 P52333 10/20 0.69
▸ JAK2 O60674 9/20 0.69
▸ TYK2 P29597 4/20 0.58
▸ PKN2 Q16513 1/20 0.58
▸ AURKB Q96GD4 1/20 0.58
▸ KCNH2 Q12809 1/20 0.55

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
SCHEMBL15077677 1.00 JAK1 (1.00) JAK1JAK3JAK2TYK2PKN2
SCHEMBL16199676 0.90 JAK1 (0.82) JAK1JAK3JAK2TYK2PKN2
SCHEMBL16199616 0.90 JAK1 (0.82) JAK1JAK3JAK2TYK2PKN2
SCHEMBL15077601 0.90 JAK1 (0.82) JAK1JAK3JAK2TYK2PKN2
SCHEMBL16192213 0.90 JAK1 (0.81) JAK1JAK3JAK2TYK2KCNH2
SCHEMBL18522427 0.86 JAK1 (0.76) JAK1JAK3JAK2TYK2
SCHEMBL20466944 0.86 JAK1 (0.75) JAK1JAK3JAK2TYK2KCNH2
SCHEMBL15077538 0.85 JAK1 (1.00) JAK1JAK3JAK2
SCHEMBL16227997 0.85 JAK1 (1.00) JAK1JAK3JAK2
SCHEMBL15077656 0.85 JAK1 (1.00) JAK1JAK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428074-B2 Pyrrole heteroaryl ring derivative and method of use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-10-01 — — US disclosed
US-20180222912-A1 PYRROLE HETEROARYL RING DERIVATIVE AND METHOD OF USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-08-09 — — US disclosed
EP-2796460-B1 PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICINAL USES THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2018-07-04 — — EP disclosed
US-20170044171-A1 COMPOUNDS FOR PREPARING PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE JIANGSU HENGRUI MEDICINE CO (CN) 2017-02-16 — — US disclosed
US-20170044171-A1 COMPOUNDS FOR PREPARING PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE JIANGSU HENGRUI MEDICINE CO (CN) 2017-02-16 — — US disclosed
US-20170044171-A1 COMPOUNDS FOR PREPARING PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE JIANGSU HENGRUI MEDICINE CO (CN) 2017-02-16 — — US disclosed
US-9527851-B2 Pyrrole six-membered heteroaryl ring derivative, preparation method thereof, and medicinal uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-12-27 — — US disclosed
US-9527851-B2 Pyrrole six-membered heteroaryl ring derivative, preparation method thereof, and medicinal uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-12-27 — — US disclosed
US-9527851-B2 Pyrrole six-membered heteroaryl ring derivative, preparation method thereof, and medicinal uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-12-27 — — US disclosed
US-20140336207-A1 PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE, PREPARATION METHOD THEREOF, AND MEDICINAL USES THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-11-13 — — US disclosed
US-20140336207-A1 PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE, PREPARATION METHOD THEREOF, AND MEDICINAL USES THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-11-13 — — US disclosed
US-20140336207-A1 PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE, PREPARATION METHOD THEREOF, AND MEDICINAL USES THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-11-13 — — US disclosed
EP-2796460-A1 PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICINAL USES THEREOF Jiangsu Hengrui Medicine Co. Ltd. (CN) 2014-10-29 — — EP disclosed
EP-2796460-A1 PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICINAL USES THEREOF Jiangsu Hengrui Medicine Co. Ltd. (CN) 2014-10-29 — — EP disclosed
WO-2013091539-A1 PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICINAL USES THEREOF 江苏恒瑞医药股份有限公司 (CN) 2013-06-27 — — 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 (4 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-20180222912-A1 PYRROLE HETEROARYL RING DERIVATIVE AND METHOD OF USE THEREOF DHFR, PPOX, PAH JAK1 1695/4885JAK3 415/4885JAK2 243/4885
US-20170044171-A1 COMPOUNDS FOR PREPARING PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE JAK2, JAK1, JAK3 JAK1 2/4885JAK3 3/4885JAK2 1/4885
US-20140336207-A1 PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE, PREPARATION METHOD THEREOF, AND MEDICINAL USES THEREOF JAK1, JAK3, JAK2 JAK1 1/4885JAK3 2/4885JAK2 3/4885
US-10428074-B2 Pyrrole heteroaryl ring derivative and method of use thereof DHFR, PPOX, PAH JAK1 1695/4885JAK3 415/4885JAK2 243/4885

“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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