SCHEMBL16192178

SCHEMBL16192178

CN(c1ncnc2[nH]ccc12)C1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.71
JAK2 O60674 11/20 0.71
JAK3 P52333 9/20 0.71
TYK2 P29597 3/20 0.65

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
SCHEMBL18511273 1.00 JAK1 (0.71) JAK1JAK2JAK3TYK2
SCHEMBL16192177 1.00 JAK1 (0.71) JAK1JAK2JAK3TYK2
SCHEMBL15077785 1.00 JAK1 (0.71) JAK1JAK2JAK3TYK2
SCHEMBL16199620 1.00 JAK1 (0.71) JAK1JAK2JAK3TYK2
SCHEMBL20343575 1.00 JAK1 (0.71) JAK1JAK2JAK3TYK2
SCHEMBL16228061 0.89 JAK1 (0.65) JAK1JAK2JAK3TYK2
SCHEMBL18511274 0.89 JAK1 (0.65) JAK1JAK2JAK3TYK2
SCHEMBL16199626 0.89 JAK1 (0.65) JAK1JAK2JAK3TYK2
SCHEMBL16191855 0.89 JAK1 (0.65) JAK1JAK2JAK3TYK2
SCHEMBL15077524 0.89 JAK1 (0.65) JAK1JAK2JAK3TYK2

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 16 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-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
US-20180222912-A1 PYRROLE HETEROARYL RING DERIVATIVE AND METHOD OF USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-08-09 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

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 1695/4885JAK2 243/4885JAK3 415/4885
US-20170044171-A1 COMPOUNDS FOR PREPARING PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE JAK2, JAK1, JAK3 JAK1 2/4885JAK2 1/4885JAK3 3/4885
US-20140336207-A1 PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE, PREPARATION METHOD THEREOF, AND MEDICINAL USES THEREOF JAK1, JAK3, JAK2 JAK1 1/4885JAK2 3/4885JAK3 2/4885
US-10428074-B2 Pyrrole heteroaryl ring derivative and method of use thereof DHFR, PPOX, PAH JAK1 1695/4885JAK2 243/4885JAK3 415/4885

“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.