SCHEMBL758938

SCHEMBL758938

CN(C)/C=N/c1cc2cc[nH]c2cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
GRM4 Q14833 1/20 0.33
MAOB P27338 2/20 0.33
RAB9A P51151 4/20 0.33
CYP2A6 P11509 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
MAP3K11 Q16584 1/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 3/20 0.32
MEN1 O00255 2/20 0.32
APAF1 O14727 1/20 0.32
POLB P06746 1/20 0.32
RAD52 P43351 1/20 0.32
AHR P35869 3/20 0.32
NR4A2 P43354 2/20 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
SCHEMBL758939 1.00 MAPT (0.35) MAPTHDAC6L3MBTL1GRM4MAOB
SCHEMBL14656442 0.73 KMT2A (0.49) MAPTRAB9ACYP2A6CYP1A2CYP3A4
SCHEMBL2545651 0.73 KMT2A (0.49) MAPTRAB9ACYP2A6CYP1A2CYP3A4
SCHEMBL758417 0.73 ALDH1A1 (0.38) MAPTL3MBTL1RAB9ACYP1A2CYP2C19
SCHEMBL758416 0.73 ALDH1A1 (0.38) MAPTL3MBTL1RAB9ACYP1A2CYP2C19
SCHEMBL31118793 0.72 RAB9A (0.33) MAPTL3MBTL1RAB9ACYP1A2CYP3A4
SCHEMBL1098944 0.72 RAB9A (0.33) MAPTL3MBTL1RAB9ACYP1A2CYP3A4
SCHEMBL3481828 0.72 RAB9A (0.33) MAPTL3MBTL1RAB9ACYP1A2CYP3A4
SCHEMBL17495541 0.71 PIM1 (0.35) L3MBTL1RAB9ANPC1ALOX15GAA
SCHEMBL760851 0.71 PIM1 (0.35) L3MBTL1RAB9ANPC1ALOX15GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2020-02-06 US disclosed
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2019-05-16 US disclosed
EP-3428160-A1 HETEROBICYCLOARYL RORC2 INHIBITORS AND METHODS OF USE THEREOF Pfizer Inc (US) 2019-01-16 EP disclosed
US-20180282304-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-10-04 US disclosed
EP-3027603-B1 HETEROBICYCLOARYL RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER (US) 2018-07-18 EP disclosed
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-03-29 US disclosed
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2017-08-17 US disclosed
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER (US) 2016-02-18 US disclosed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
EP-2001480-A2 INDAZOLE COMPOUNDS Abbott Laboratories (US) 2008-12-17 EP disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 WO disclosed
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 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 (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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 MAPT 2375/4885HDAC6 90/4885L3MBTL1 3574/4885
US-20180282304-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA MAPT 2707/4885HDAC6 161/4885L3MBTL1 4638/4885
US-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA MAPT 2707/4885HDAC6 161/4885L3MBTL1 4638/4885
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA MAPT 2707/4885HDAC6 161/4885L3MBTL1 4638/4885
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA MAPT 2707/4885HDAC6 161/4885L3MBTL1 4638/4885
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA MAPT 2707/4885HDAC6 161/4885L3MBTL1 4638/4885
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA MAPT 2707/4885HDAC6 161/4885L3MBTL1 4638/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 MAPT 2375/4885HDAC6 90/4885L3MBTL1 3574/4885

“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.