SCHEMBL19980552

SCHEMBL19980552

c1ccc2c(c1)-c1ccccc1C21c2cnccc2-c2cc3[nH]c4ccccc4c3c3cccc1c23

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.44
CCND1 P24385 3/20 0.44
KDM4E B2RXH2 3/20 0.41
GABRA1 P14867 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ACHE P22303 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
IKBKB O14920 1/20 0.41
AURKA O14965 1/20 0.41
CHUK O15111 1/20 0.41
PIM1 P11309 1/20 0.41
TOP1 P11387 1/20 0.41

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
SCHEMBL19980374 0.89 KDM4E (0.41) CDK4CCND1KDM4EGABRA1GABRG2
SCHEMBL19980433 0.81 KDM4E (0.39) CDK4CCND1KDM4EGABRA1GABRG2
SCHEMBL19980551 0.81 KDM4E (0.36) CDK4CCND1KDM4EGABRA1GABRG2
SCHEMBL19980463 0.75 MAOA (0.33) MAOAMAOB
SCHEMBL30322774 0.74 MAOA (0.47) KDM4ESMN1; SMN2IDO1MAOAMAOB
SCHEMBL19009210 0.74 MAOA (0.47) KDM4ESMN1; SMN2IDO1MAOAMAOB
SCHEMBL19980422 0.74 CYP1A2 (0.41) MAOAMAOBCYP1A2
SCHEMBL5038338 0.73 IMPDH2 (0.50) CDK4CCND1KDM4EGABRA1GABRG2
SCHEMBL19980580 0.72 KIF11 (0.40) KDM4EALDH1A1ACHELMNAHTT
SCHEMBL19567028 0.72 MAPK1 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512841-B1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2023-04-26 EP disclosed
US-11447464-B2 Compounds with spirobifluorene-structures MERCK PATENT GMBH (DE) 2022-09-20 US disclosed
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2019-06-27 US disclosed
WO-2018050584-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2018-03-22 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-11447464-B2 Compounds with spirobifluorene-structures SLCO1B3, SLCO4C1, SLCO1B1 CDK4 3036/4885CCND1 3424/4885KDM4E 4250/4885
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES SLCO1B3, SLCO4C1, SLCO1B1 CDK4 3036/4885CCND1 3424/4885KDM4E 4250/4885

“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.