SCHEMBL2736399

SCHEMBL2736399

CNc1cccc2nccnc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.70
ALDH1A1 P00352 4/20 0.70
KDM4E B2RXH2 4/20 0.70
POLB P06746 3/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
USP2 O75604 2/20 0.70
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 2/20 0.46
HDAC6 Q9UBN7 1/20 0.43
SLC40A1 Q9NP59 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ADRA2A P08913 3/20 0.37
ADRA2C P18825 3/20 0.37
ADRA1D P25100 3/20 0.37
ADRA1A P35348 3/20 0.37

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
SCHEMBL18878943 0.86 MAPT (0.52) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL20265346 0.79 MAPT (0.70) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL3156796 0.79 MAPT (0.63) MAPTALDH1A1KDM4EPOLBMEN1
Quinoline SCHEMBL28127501 0.78 ALDH1A1 (0.57) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL17776539 0.76 MEN1 (0.64) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL30936970 0.76 GLO1 (0.66) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL4546341 0.75 TDP1 (0.62) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL27857992 0.75 ALDH1A1 (0.63) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL2736333 0.73 MEN1 (0.62) MAPTALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL28172351 0.73 TDP1 (0.60) MAPTALDH1A1KDM4EPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
WO-2021226519-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
EP-3896064-A1 4,6-DIAMINO-QUINOLINE-3-CARBONITRILE DERIVATIVES AS CANCER OSAKA THYROID (COT) MODULATORS FOR TREATING CROHN'S DISEASE AND ULCERATIVE COLITIS Gilead Sciences, Inc. (US) 2021-10-20 EP disclosed
US-10647675-B2 Biaryl derivative and medicine containing same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2020-05-12 US disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN disclosed
EP-3456717-A1 TABLETS CONTAINING 4,6-DIAMINO-QUINOLINE-3-CARBONITRILE DERIVATIVES AS CANCER OSAKA THYROID (COT) MODULATORS FOR TREATING CANCER GILEAD SCIENCES, INC. (US) 2019-03-20 EP disclosed
US-20190055199-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME KAKEN PHARMACEUTICAL CO., LTD. (JP) 2019-02-21 US disclosed
EP-3351533-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2018-07-25 EP disclosed
EP-2310389-B1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC (US) 2012-01-04 EP 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-10647675-B2 Biaryl derivative and medicine containing same MAN2B1, CBR3, MANBA MAPT 4703/4885ALDH1A1 2994/4885KDM4E 2642/4885
US-20190055199-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME MAN2B1, CBR3, MANBA MAPT 4703/4885ALDH1A1 2994/4885KDM4E 2642/4885

“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.