SCHEMBL882807

SCHEMBL882807

Cn1ncc2cc(Nc3nc(-c4cccc(O)c4)nc4ccccc34)ccc21

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.68
ABCG2 Q9UNQ0 11/20 0.62
MEN1 O00255 9/20 0.62
KMT2A Q03164 9/20 0.62
MAPT P10636 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TP53 P04637 1/20 0.62
GAA P10253 2/20 0.57
NTSR1 P30989 2/20 0.57
ABCB1 P08183 5/20 0.56
SYK P43405 1/20 0.53
ABCC1 P33527 1/20 0.51
RORC P51449 1/20 0.50
MAPK14 Q16539 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.49
GBA1 P04062 1/20 0.49

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
SCHEMBL11916990 0.91 TGFBR1 (0.74) TGFBR1ABCG2MEN1KMT2AMAPT
SCHEMBL13319624 0.89 TGFBR1 (0.72) TGFBR1ABCG2MEN1KMT2AMAPT
SCHEMBL16882618 0.88 TGFBR1 (0.59) TGFBR1ABCG2MEN1KMT2AMAPT
SCHEMBL878154 0.86 MEN1 (0.60) TGFBR1ABCG2MEN1KMT2AMAPT
SCHEMBL14962717 0.86 ABCG2 (0.70) TGFBR1ABCG2MEN1KMT2AMAPT
SCHEMBL22201676 0.85 TGFBR1 (0.68) TGFBR1ABCG2MEN1KMT2AMAPT
SCHEMBL877451 0.82 ABCG2 (0.55) TGFBR1ABCG2MEN1KMT2AMAPT
SCHEMBL31484236 0.82 ABCG2 (0.55) TGFBR1ABCG2MEN1KMT2AMAPT
SCHEMBL31484237 0.82 ABCG2 (0.55) TGFBR1ABCG2MEN1KMT2AMAPT
SCHEMBL10221643 0.80 ROCK2 (0.72) TGFBR1ABCG2ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX LLC (US) 2021-01-21 US disclosed
US-10570123-B2 Pharmacokinetically improved compounds SURFACE LOGIX, LLC (US) 2020-02-25 US disclosed
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 US disclosed
US-9440961-B2 Rho-kinase inhibitors and method of preparation SURFACE LOGIX, INC. (US) 2016-09-13 US disclosed
US-9440961-B2 Rho-kinase inhibitors and method of preparation SURFACE LOGIX, INC. (US) 2016-09-13 US disclosed
US-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS KADMON CORPORATION, LLC 2015-12-03 US disclosed
US-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS KADMON CORPORATION, LLC 2015-12-03 US disclosed
EP-1865958-B1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2015-07-08 EP disclosed
US-8916576-B2 Pharmacokinetically improved compounds SURFACE LOGIX, INC. (US) 2014-12-23 US disclosed
US-20130131047-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2013-05-23 US disclosed
US-8357693-B2 Pharmacokinetically improved compounds SURFACE LOGIX, INC. (US) 2013-01-22 US disclosed
US-20120202793-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2012-08-09 US disclosed
US-20120202793-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2012-08-09 US disclosed
WO-2012040499-A2 METABOLIC INHIBITORS SURFACE LOGIX, INC. (US) 2012-03-29 WO disclosed
WO-2010104851-A1 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2010-09-16 WO disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 US disclosed
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 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 (7 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-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 TGFBR1 3856/4885ABCG2 280/4885MEN1 385/4885
US-20130131047-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 TGFBR1 3856/4885ABCG2 280/4885MEN1 385/4885
US-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 TGFBR1 3856/4885ABCG2 280/4885MEN1 385/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 TGFBR1 3856/4885ABCG2 280/4885MEN1 385/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 TGFBR1 3856/4885ABCG2 280/4885MEN1 385/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 TGFBR1 3856/4885ABCG2 280/4885MEN1 385/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA TGFBR1 1967/4885ABCG2 1067/4885MEN1 1253/4885

“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.