SCHEMBL4615363

SCHEMBL4615363

N[C@@H](Cc1ccncc1)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 3/20 0.46
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CASP3 P42574 2/20 0.41
GRM5 P41594 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LTA4H P09960 1/20 0.39
POLB P06746 1/20 0.39
EPHX1 P07099 1/20 0.39
KCNQ2 O43526 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL4615361 1.00 SMN1; SMN2 (0.48) SMN1; SMN2TSHRALDH1A1L3MBTL1CASP3
Hydrochloric Acid SCHEMBL4893299 0.98 SMN1; SMN2 (0.47) SMN1; SMN2TSHRALDH1A1L3MBTL1CASP3
Hydrochloric Acid SCHEMBL4901079 0.98 SMN1; SMN2 (0.47) SMN1; SMN2TSHRALDH1A1L3MBTL1CASP3
SCHEMBL1529481 0.87 EPHX1 (0.53) ALDH1A1L3MBTL1CASP3MAPK1TDP1
SCHEMBL2370243 0.87 EPHX1 (0.53) ALDH1A1L3MBTL1CASP3MAPK1TDP1
SCHEMBL1529483 0.87 EPHX1 (0.53) ALDH1A1L3MBTL1CASP3MAPK1TDP1
Hydrochloric Acid SCHEMBL4783273 0.86 EPHX1 (0.52) ALDH1A1L3MBTL1CASP3MAPK1TDP1
Hydrochloric Acid SCHEMBL29574342 0.86 EPHX1 (0.52) ALDH1A1L3MBTL1CASP3MAPK1TDP1
Hydrochloric Acid SCHEMBL1529614 0.86 EPHX1 (0.52) ALDH1A1L3MBTL1CASP3MAPK1TDP1
Hydrochloric Acid SCHEMBL4778820 0.86 EPHX1 (0.52) ALDH1A1L3MBTL1CASP3MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654868-B2 Dihydropyrazole azepine compound serving as Akt inhibitor Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2020-05-19 US disclosed
US-20190233434-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2019-08-01 US disclosed
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2008036308-A2 AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2008-03-27 WO disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 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 (2 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-10654868-B2 Dihydropyrazole azepine compound serving as Akt inhibitor AKT3, AKT2, AKT1 SMN1; SMN2 2402/4885TSHR 4263/4885ALDH1A1 3338/4885
US-20190233434-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR AKT3, AKT2, AKT1 SMN1; SMN2 2402/4885TSHR 4263/4885ALDH1A1 3338/4885

“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.