SCHEMBL24697495

SCHEMBL24697495

c1ccc(-c2cn3ncccc3n2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
LMNA P02545 3/20 0.50
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
POLB P06746 2/20 0.50
CYP1A2 P05177 1/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
TP53 P04637 4/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
ALOX15 P16050 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALPL P05186 1/20 0.48
HSP90AA1 P07900 1/20 0.48

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
SCHEMBL31540362 1.00 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1202800 0.78 ALDH1A1 (0.49) KDM4ETP53L3MBTL1ALOX15SMN1; SMN2
SCHEMBL13750598 0.77 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4021715 0.77 CCR1 (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29683133 0.76 TGFBR1 (0.33) KDM4EPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL10515978 0.75 RAB9A (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30944801 0.75 RAB9A (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30040787 0.75 DYRK1A (0.35) NPC1RAB9AGSK3B
Dipyridyl SCHEMBL722577 0.73 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL3796795 0.73 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8

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-20220265669-A1 COMPOUNDS USEFUL FOR INHIBITING RAF DIMERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-08-25 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-20220265669-A1 COMPOUNDS USEFUL FOR INHIBITING RAF DIMERS BRAF, RAF1, NRAS KDM4E 4113/4885LMNA 2578/4885CCR1 2033/4885

“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.