SCHEMBL24312914

SCHEMBL24312914

CNC(=N)c1ccc2nc(-c3ccc(N(c4ccccc4)c4ccc(-c5nc6ccc(C(=N)NC)cc6[nH]5)cc4)cc3)[nH]c2c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 9/20 0.58
PLAU P00749 1/20 0.56
PRSS1 P07477 1/20 0.56
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
IKBKB O14920 1/20 0.47

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
SCHEMBL24313037 0.87 CHEK2 (0.61) CHEK2PLAUPRSS1HDAC3HDAC1
Hydrochloric Acid SCHEMBL11327140 0.76 RHEB (0.46) CHEK2PLAUPRSS1HDAC6
SCHEMBL20982708 0.76 HDAC6 (0.63) PLAUPRSS1HDAC3HDAC1HDAC8
SCHEMBL10140089 0.75 PLAU (0.48) CHEK2PLAUPRSS1HDAC3HDAC1
SCHEMBL7982582 0.74 F10 (0.76) CHEK2PLAUPRSS1HDAC3HDAC1
SCHEMBL6179777 0.71 NR4A2 (0.67) CHEK2HDAC3HDAC1HDAC8HDAC6
SCHEMBL1663682 0.71 SIRT2 (0.71) CHEK2SIRT2SIRT1
SCHEMBL14519390 0.70 PLAU (0.86) PLAUPRSS1
SCHEMBL19982678 0.70 CHEK2 (0.74) CHEK2PLAUPRSS1HDAC3HDAC1
SCHEMBL24313035 0.70 HDAC6 (0.51) CHEK2PLAUPRSS1HDAC3HDAC1

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-20220096441-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-03-31 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-20220096441-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS PKD2, PKD1, MUC1 CHEK2 241/4885PLAU 959/4885PRSS1 2689/4885

“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.