SCHEMBL27075646

SCHEMBL27075646

c1ccc(Nc2c(-c3ccncc3)[nH]c3cnccc23)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 6/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ CHUK O15111 2/20 0.45
▸ GABRA1 P14867 2/20 0.45
▸ GABRG2 P18507 2/20 0.45
▸ GABRB3 P28472 2/20 0.45
▸ GABRA5 P31644 2/20 0.45
▸ GABRA3 P34903 2/20 0.45
▸ GABRA2 P47869 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GABRP O00591 1/20 0.45
▸ GABRD O14764 1/20 0.45
▸ IKBKB O14920 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ TOP1 P11387 1/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ GABRB1 P18505 1/20 0.45

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
SCHEMBL27075647 0.73 BUB1 (0.53) BUB1RAB9AMAPTMAPK1MAPK14
SCHEMBL27075643 0.73 BUB1 (0.52) BUB1ALDH1A1CHUKKDM4EPIM1
SCHEMBL27075644 0.71 BUB1 (0.55) BUB1IDO1TDO2
SCHEMBL27075636 0.71 KDM1A (0.48) BUB1
SCHEMBL27075634 0.70 LTA4H (0.44) SMN1; SMN2ALDH1A1HPGDCHUKGABRA1
SCHEMBL17371905 0.69 BUB1 (1.00) BUB1
SCHEMBL27075632 0.67 CHUK (0.50) SMN1; SMN2ALDH1A1HPGDCHUKGABRA1
SCHEMBL27075645 0.67 CHUK (0.50) SMN1; SMN2ALDH1A1HPGDCHUKGABRA1
SCHEMBL20234030 0.67 BUB1 (0.74) BUB1
SCHEMBL473671 0.67 CHUK (0.63) SMN1; SMN2ALDH1A1HPGDCHUKGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891390-B1 3-substituted amino-2-arylpyrrolo[2,3-c]pyridines as CK2 inhibitors King Faisal University (SA) 2024-02-06 — — US 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 (1 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-11891390-B1 3-substituted amino-2-arylpyrrolo[2,3-c]pyridines as CK2 inhibitors CSNK2A3, CSNK2A2, CSNK2A1 BUB1 407/4885SMN1; SMN2 2898/4885ALDH1A1 4285/4885

“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.

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