SCHEMBL5531535

SCHEMBL5531535

N#Cc1cnc2sc(-c3ccc4[nH]ccc4c3)c(N)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.44
▸ IMPDH1 P20839 1/20 0.44
▸ PRKCQ Q04759 6/20 0.43
▸ PRKCD Q05655 5/20 0.43
▸ LYN P07948 1/20 0.43
▸ RIPK1 Q13546 1/20 0.40
▸ MAP3K11 Q16584 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ LRRK2 Q5S007 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ DYRK3 O43781 3/20 0.38
▸ CCNT1 O60563 3/20 0.38
▸ CDK9 P50750 3/20 0.38
▸ CDK5 Q00535 3/20 0.38
▸ DYRK1A Q13627 3/20 0.38
▸ CDK5R1 Q15078 3/20 0.38
▸ DYRK2 Q92630 3/20 0.38
▸ DYRK1B Q9Y463 3/20 0.38
▸ CCNA2 P20248 2/20 0.38

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
SCHEMBL5531542 0.84 IMPDH2 (0.44) IMPDH2IMPDH1PRKCQPRKCDLYN
SCHEMBL5533120 0.76 KDM1A (0.40) LRRK2DYRK1A
Hydrochloric Acid SCHEMBL4952344 0.70 PRKCQ (0.59) IMPDH2IMPDH1PRKCQPRKCDLYN
SCHEMBL5485659 0.68 IMPDH2 (0.73) IMPDH2IMPDH1RIPK1GABRPGABRD
SCHEMBL5527077 0.67 PRKCQ (0.51) IMPDH2IMPDH1PRKCQPRKCDLYN
SCHEMBL5533125 0.67 PRKCQ (0.43) IMPDH2IMPDH1PRKCQPRKCDLYN
SCHEMBL4951383 0.67 PRKCQ (0.69) PRKCQPRKCDLYN
SCHEMBL1146649 0.67 BRD4 (0.50) IMPDH2IMPDH1PRKCQRIPK1MAP3K11
SCHEMBL1146448 0.66 PRKCQ (0.60) IMPDH2IMPDH1PRKCQPRKCDMAP3K11
SCHEMBL2645009 0.65 MAP3K11 (0.56) MAP3K11CYP3A4CYP2D6LRRK2CYP2C9

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-20070082880-A1 Thieno [2,3-B] pyridine-5-carbonitriles as protein kinase inhibitors WYETH 2007-04-12 — — 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-20070082880-A1 Thieno [2,3-B] pyridine-5-carbonitriles as protein kinase inhibitors MAP4K2, CNKSR1, MAP3K1 IMPDH2 2088/4885IMPDH1 1537/4885PRKCQ 286/4885

“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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