SCHEMBL2790469

SCHEMBL2790469

Nc1ccncc1OCI

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
AOC1 P19801 2/20 0.39
AOC3 Q16853 2/20 0.39
AURKA O14965 1/20 0.35
TTK P33981 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL11628534 0.80 ALDH1A1 (0.53) GAAAOC1AOC3AURKATTK
SCHEMBL27624925 0.77 ALDH1A1 (0.47) GAAAOC1AOC3AURKATTK
SCHEMBL28229161 0.76 IMPDH2 (0.41) GAAAOC1AOC3CYP3A4MAPT
SCHEMBL28758391 0.76 CYP2C9 (0.58) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL27655217 0.74 LTA4H (0.56) GAAAOC3ALDH1A1MAPTKDM4C
SCHEMBL27645080 0.73 CYP2C9 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL222945 0.72
SCHEMBL31576017 0.72
Hydrochloric Acid SCHEMBL29374919 0.71 CA12 (0.47) GAAAOC1AOC3AURKATTK
SCHEMBL18397466 0.71 ROCK2 (0.44) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6

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
US-11661437-B2 Steroid derivative regulators, method for preparing the same, and uses thereof JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-05-30 US disclosed
US-20220017565-A1 STEROID DERIVATIVE REGULATORS, METHOD FOR PREPARING THE SAME, AND USES THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2022-01-20 US disclosed
US-20170128422-A1 METHODS OF TREATING ANDROGEN RECEPTOR-MEDIATED DISORDERS WITH IMIDAZOLINE DERIVATIVES Shanghai hengrui pharmaceutical co ltd (CN) 2017-05-11 US disclosed
US-9586947-B2 Imidazoline derivatives, preparation methods thereof, and their applications in medicine SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-03-07 US disclosed
US-9566277-B2 Methods of using phthalazinone ketone derivatives JIANGSU HANSOH PHARMACEUTICAL CO., LTD. (CN) 2017-02-14 US disclosed
US-9527851-B2 Pyrrole six-membered heteroaryl ring derivative, preparation method thereof, and medicinal uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-12-27 US disclosed
US-20160151367-A1 METHODS OF USING PHTHALAZINONE KETONE DERIVATIVES JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-06-02 US disclosed
US-20150225381-A1 IMIDAZOLINE DERIVATIVES, PREPARATION METHODS THEREOF, AND THEIR APPLICATIONS IN MEDICINE JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2015-08-13 US disclosed
US-8901140-B2 6-amino quinazoline or 3-cyano quinoline derivatives, preparation methods and pharmaceutical uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-12-02 US disclosed
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 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 (5 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-11661437-B2 Steroid derivative regulators, method for preparing the same, and uses thereof GABRR1, GABRB1, GABRD GAA 1659/4885AOC1 4540/4885AOC3 3561/4885
US-20160151367-A1 METHODS OF USING PHTHALAZINONE KETONE DERIVATIVES PARP1, PARP2, PARP3 GAA 1081/4885AOC1 3358/4885AOC3 3309/4885
US-20170128422-A1 METHODS OF TREATING ANDROGEN RECEPTOR-MEDIATED DISORDERS WITH IMIDAZOLINE DERIVATIVES NR5A1, ESRRA, ESRRB GAA 2756/4885AOC1 3781/4885AOC3 2660/4885
US-20150225381-A1 IMIDAZOLINE DERIVATIVES, PREPARATION METHODS THEREOF, AND THEIR APPLICATIONS IN MEDICINE AR, KLK3, NR5A1 GAA 3921/4885AOC1 3446/4885AOC3 3682/4885
US-20220017565-A1 STEROID DERIVATIVE REGULATORS, METHOD FOR PREPARING THE SAME, AND USES THEREOF GABRR1, GABRB1, GABRD GAA 1659/4885AOC1 4540/4885AOC3 3561/4885

“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.