SCHEMBL84573

SCHEMBL84573

CC(C)c1ccc2c(N)n[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 17/20 0.55
JAK2 O60674 3/20 0.55
TGFBR1 P36897 8/20 0.52
AURKA O14965 7/20 0.52
AURKB Q96GD4 7/20 0.52
KIF11 P52732 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
ROCK1 Q13464 4/20 0.45
KDR P35968 2/20 0.43
CHUK O15111 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CDK2 P24941 1/20 0.43
SYK P43405 1/20 0.43
JAK3 P52333 1/20 0.43
MAP3K5 Q99683 1/20 0.43
PIK3CD O00329 1/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL2661889 0.85 JAK2 (0.55) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL13524469 0.82 PDPK1 (0.66) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL16076615 0.81 KIF11 (0.47) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL18806213 0.81 KIF11 (0.47) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL13524506 0.81 PDPK1 (0.50) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL13524504 0.81 PDPK1 (0.50) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL13524510 0.81 PDPK1 (0.50) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL13524501 0.79 PDPK1 (0.48) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL13524487 0.78 PDPK1 (0.60) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL25022905 0.77 KIF11 (0.44) PDPK1JAK2TGFBR1AURKAAURKB

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-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-11661418-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-05-30 US disclosed
US-20220169676-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES WASHINGTON UNIVERSITY (US) 2022-06-02 US disclosed
US-11130780-B2 Inhibitors of growth factor activation enzymes WASHINGTON UNIVERSITY (US) 2021-09-28 US disclosed
US-20210171512-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
US-20210171531-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
WO-2021032933-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
US-20180066015-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES WASHINGTON UNIVERSITY (US) 2018-03-08 US disclosed
US-20180066015-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES WASHINGTON UNIVERSITY (US) 2018-03-08 US disclosed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 US disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US 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 (10 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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 PDPK1 2713/4885JAK2 441/4885TGFBR1 1572/4885
US-20210171531-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 PDPK1 1911/4885JAK2 2654/4885TGFBR1 4872/4885
US-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 PDPK1 1911/4885JAK2 2654/4885TGFBR1 4872/4885
US-11130780-B2 Inhibitors of growth factor activation enzymes HDGF, MMP7, HGF PDPK1 3145/4885JAK2 729/4885TGFBR1 1099/4885
US-20220169676-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES HDGF, MMP7, HGF PDPK1 3145/4885JAK2 729/4885TGFBR1 1099/4885
US-20210171512-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 PDPK1 1911/4885JAK2 2654/4885TGFBR1 4872/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS PDPK1 253/4885JAK2 658/4885TGFBR1 4497/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS PDPK1 94/4885JAK2 571/4885TGFBR1 4502/4885
US-11661418-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 PDPK1 1911/4885JAK2 2654/4885TGFBR1 4872/4885
US-20180066015-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES HDGF, MMP7, HGF PDPK1 3145/4885JAK2 729/4885TGFBR1 1099/4885

“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.