SCHEMBL3852012

SCHEMBL3852012

OB(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 2/20 0.34
MGLL Q99685 2/20 0.33
TRPV6 Q9H1D0 1/20 0.33
CYP11B2 P19099 2/20 0.33
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP11B1 P15538 1/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
KDM4E B2RXH2 2/20 0.31
AURKA O14965 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL1978146 0.80 AURKA (0.32) ALDH1A1CYP11B2CYP11B1KDM4EAURKA
SCHEMBL34473961 0.80 POLB (0.40) ALDH1A1TSHRPOLBCYP11B2CYP11B1
SCHEMBL3847801 0.79 KIF11 (0.40) ALDH1A1TSHRMGLLTRPV6CYP19A1
SCHEMBL28669671 0.78 ALDH1A1 (0.32) ALDH1A1TSHRTRPV6CYP11B2CYP11B1
SCHEMBL28916410 0.78 AURKA (0.36) TSHRCYP11B2CYP19A1CYP2C9CYP11B1
SCHEMBL30552875 0.78 AURKA (0.30) AURKA
SCHEMBL519708 0.77 KDM4E (0.33) ALDH1A1MGLLCYP11B2CYP11B1LMNA
SCHEMBL22405796 0.76 ALDH1A1 (0.38) ALDH1A1TSHRPOLBCYP11B2CYP11B1
SCHEMBL3844719 0.76 ALDH1A1 (0.38) ALDH1A1TSHRPOLBCYP11B2CYP11B1
SCHEMBL24112327 0.76 ALDH1A1 (0.34) ALDH1A1TSHRPOLBCYP2C9MAPT

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4161931-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2026-02-18 EP disclosed
EP-3533797-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-12-20 EP disclosed
US-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
US-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
US-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
EP-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11390604-B2 Imidazole-pyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
EP-3934756-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2022-01-12 EP disclosed
WO-2021249896-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 WO disclosed
US-8921354-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
US-20140235615-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-21 US disclosed
US-20140228352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
US-8722660-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
US-20130029969-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-31 US disclosed
EP-2540728-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2013-01-02 EP disclosed
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 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 (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-11390604-B2 Imidazole-pyrazole derivatives F12, CYP3A7, NLRP3 ALDH1A1 912/4885TSHR 731/4885POLB 2952/4885
US-20130029969-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT ALDH1A1 71/4885TSHR 3819/4885POLB 2206/4885
US-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES IKZF3, RRP15, IK ALDH1A1 3337/4885TSHR 289/4885POLB 3460/4885
US-20140228352-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT ALDH1A1 71/4885TSHR 3819/4885POLB 2206/4885
US-20140235615-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT ALDH1A1 71/4885TSHR 3819/4885POLB 2206/4885

“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.