SCHEMBL20042169

SCHEMBL20042169

Cc1cc(Nc2ccc(C#N)cc2)nc(N2CCNCC2=O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ ROCK2 O75116 5/20 0.44
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TP53 P04637 2/20 0.42
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ ROCK1 Q13464 3/20 0.41
▸ AURKA O14965 1/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ MAP4K1 Q92918 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
Hydrochloric Acid SCHEMBL18153287 0.99 ABCG2 (0.47) ABCG2ROCK2POLBLMNAMAPT
SCHEMBL18162582 0.82 ABCG2 (0.47) ABCG2ROCK2POLBLMNAMAPT
SCHEMBL18153406 0.82 ROCK2 (0.62) ABCG2ROCK2POLBLMNAMAPT
Hydrochloric Acid SCHEMBL23197968 0.81 ROCK2 (0.61) ABCG2ROCK2POLBLMNAMAPT
SCHEMBL18153412 0.80 ABCG2 (0.47) ABCG2LMNAMAPTTP53AURKA
SCHEMBL20042170 0.77 ROCK2 (0.66) ABCG2ROCK2LMNAMAPTCTSL
Hydrochloric Acid SCHEMBL18153282 0.77 ROCK2 (0.64) ABCG2ROCK2LMNAMAPTCTSL
SCHEMBL20042138 0.76 MAPT (0.47) ABCG2POLBLMNAMAPTTP53
SCHEMBL18162440 0.75 JAK2 (0.41) ABCG2LMNAHSD17B10ALOX15
SCHEMBL18153329 0.75 LMNA (0.48) ABCG2ROCK2POLBLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283472-B1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS UNIV INDIANA RES & TECH CORP (US) 2021-04-14 — — EP disclosed
US-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-04-12 — — 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-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS HAVCR2, MAVS, HCCS ABCG2 4610/4885ROCK2 2833/4885POLB 679/4885

“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.

Send feedback