SCHEMBL20528869

SCHEMBL20528869

Cc1cn2nc(C)cc(Br)c2n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
SMPD3 Q9NY59 1/20 0.39
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL1826708 0.83 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10SMPD3MAPT
SCHEMBL3970342 0.79 KDM4E (0.52) ALDH1A1HPGDHSD17B10SMPD3KDM4E
SCHEMBL16283749 0.76 SMPD3 (0.33) SMPD3
SCHEMBL10282570 0.74 L3MBTL1 (0.41) ALDH1A1KDM4EMAPTTSHRSMN1; SMN2
SCHEMBL24163472 0.74 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10SMPD3KDM4E
SCHEMBL3968151 0.73 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10SMPD3KDM4E
SCHEMBL25151627 0.73 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10SMPD3KDM4E
SCHEMBL3959800 0.73 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10SMPD3KDM4E
SCHEMBL25151362 0.72 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10SMPD3KDM4E
SCHEMBL21120068 0.72 KDM5A (0.40) ALDH1A1HPGDHSD17B10SMPD3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3606926-B1 HETEROAROMATIC COMPOUNDS USEFUL IN THERAPY CUROVIR AB (SE) 2021-05-26 EP disclosed
EP-3606926-B1 HETEROAROMATIC COMPOUNDS USEFUL IN THERAPY CUROVIR AB (SE) 2021-05-26 EP disclosed
US-11001587-B2 Substituted indazoles as phosphatidylinositol kinase inhibitors CUROVIR AB (SE) 2021-05-11 US disclosed
EP-3606926-A1 HETEROAROMATIC COMPOUNDS USEFUL IN THERAPY CUROVIR AB (SE) 2020-02-12 EP disclosed
US-20200031833-A1 HETEROAROMATIC COMPOUNDS USEFUL IN THERAPY CUROVIR AB (SE) 2020-01-30 US disclosed
WO-2018185120-A1 HETEROAROMATIC COMPOUNDS USEFUL IN THERAPY CUROVIR AB (SE) 2018-10-11 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-11001587-B2 Substituted indazoles as phosphatidylinositol kinase inhibitors PIKFYVE, PI4KA, PIP4K2B ALDH1A1 4239/4885HPGD 4093/4885HSD17B10 3489/4885
US-20200031833-A1 HETEROAROMATIC COMPOUNDS USEFUL IN THERAPY BECN1, SQSTM1, TFEB ALDH1A1 1445/4885HPGD 2348/4885HSD17B10 652/4885

“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.