SCHEMBL27075634

SCHEMBL27075634

c1cncc(CNc2c(-c3ccncc3)[nH]c3cnccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.44
▸ CYP1A2 P05177 4/20 0.43
▸ CYP2D6 P10635 4/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ CYP2C19 P33261 4/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ PDE5A O76074 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ EIF2AK2 P19525 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ IKBKB O14920 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
SCHEMBL27075654 0.84 MAPK1 (0.48) PDE5AMAPK1CHUKNPC1RAB9A
SCHEMBL27075638 0.74 HTR6 (0.45) ALDH1A1POLBKDM4EHPGDSMN1; SMN2
SCHEMBL27075646 0.70 BUB1 (0.52) ALDH1A1MAPK1KDM4EHPGDSMN1; SMN2
SCHEMBL13692589 0.68 KMT2A (0.73) LTA4HCYP1A2CYP2D6ALDH1A1CYP2C19
SCHEMBL27075643 0.68 BUB1 (0.52) ALDH1A1KDM4ECHUKPIM1IDO1
SCHEMBL20870269 0.68 KDM5A (0.57) ALDH1A1POLBTSHRKDM4EHPGD
SCHEMBL27075647 0.68 BUB1 (0.53) MAPK1HTTRAB9A
SCHEMBL27075632 0.67 CHUK (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2GABRP
SCHEMBL27075645 0.67 CHUK (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2GABRP
SCHEMBL5605047 0.64 LTA4H (0.82) LTA4HCYP1A2CYP2D6ALDH1A1CYP2C19

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 LTA4H 2849/4885CYP1A2 3324/4885CYP2D6 2155/4885

“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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