SCHEMBL19167337

SCHEMBL19167337

CC(C)(C)c1ccn2cc(C(C)(C)C)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 8/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
SCD O00767 1/20 0.33
TLR9 Q9NR96 3/20 0.33
POLB P06746 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
HDAC4 P56524 1/20 0.32
MAP3K5 Q99683 1/20 0.32
PKM P14618 1/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL19497542 0.88 MCHR1 (0.44) TP53SMN1; SMN2MCHR1KDM4EHDAC4
SCHEMBL23691886 0.85 SMN1; SMN2 (0.51) TP53SMN1; SMN2MCHR1KDM4ENPC1
SCHEMBL6544829 0.82 SMN1; SMN2 (0.58) TP53SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL24996049 0.82 HDAC1 (0.44) TP53SMN1; SMN2MCHR1KDM4ENPC1
SCHEMBL13050352 0.81 TP53 (0.38) TP53SMN1; SMN2MCHR1KDM4ENPC1
SCHEMBL13050330 0.81 PDE10A (0.39) TP53SMN1; SMN2MCHR1KDM4ENPC1
SCHEMBL13050338 0.81 TP53 (0.38) TP53SMN1; SMN2MCHR1KDM4ENPC1
Hydrochloric Acid SCHEMBL6545285 0.81 SMN1; SMN2 (0.57) TP53SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL21100921 0.78 TP53 (0.36) TP53SMN1; SMN2MCHR1KDM4ENPC1
SCHEMBL13050350 0.78 TLR9 (0.46) TP53SMN1; SMN2KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11130749-B2 2021-09-28 US disclosed
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-09-12 US disclosed
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-06-25 US disclosed
US-10323023-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-06-18 US disclosed
WO-2019001572-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF 北京泰德制药股份有限公司 2019-01-03 WO disclosed
US-20190002442-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-01-03 US disclosed
US-20180099964-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2018-04-12 US disclosed
US-9902723-B2 Pyrazole derivative manufacturing method MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2018-02-27 US disclosed
US-9879009-B2 Pyrazole derivative manufacturing method MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2018-01-30 US disclosed
US-20170217958-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-20170210740-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-07-27 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 (8 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-20170217958-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD CYP3A7, CYP2C19, CYP3A5 TP53 1218/4885SMN1; SMN2 2809/4885MCHR1 4480/4885
US-10323023-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof ROCK1, RHOA, ROCK2 TP53 3546/4885SMN1; SMN2 2296/4885MCHR1 2800/4885
US-20180099964-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD CYP3A5, CYP3A7, CYP3A4 TP53 1817/4885SMN1; SMN2 2796/4885MCHR1 4428/4885
US-20170210740-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD CYP3A5, CYP3A7, CYP3A4 TP53 1644/4885SMN1; SMN2 2329/4885MCHR1 4464/4885
US-20190002442-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF ROCK1, RHOA, ROCK2 TP53 3546/4885SMN1; SMN2 2296/4885MCHR1 2800/4885
US-11130749-B2 ROCK1, RHOA, ROCK2 TP53 3441/4885SMN1; SMN2 1277/4885MCHR1 2095/4885
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof ROCK1, RHOA, ROCK2 TP53 3546/4885SMN1; SMN2 2296/4885MCHR1 2800/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA TP53 3942/4885SMN1; SMN2 2820/4885MCHR1 2467/4885

“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.