SCHEMBL21729900

SCHEMBL21729900

FC(F)(F)Oc1ccc(-c2cnc(N/N=C/c3ccc(Br)cc3)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
RAB9A P51151 7/20 0.49
NPC1 O15118 5/20 0.49
HTT P42858 4/20 0.49
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
LMNA P02545 4/20 0.45
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
EGFR P00533 1/20 0.43
MET P08581 1/20 0.43
ROS1 P08922 1/20 0.43
ALK Q9UM73 1/20 0.43
GAA P10253 2/20 0.42
MITF O75030 1/20 0.42
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
POLB P06746 2/20 0.40
PKM P14618 2/20 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
SCHEMBL12120816 0.81 SYK (0.48) MAPTRAB9ANPC1HTTKMT2A
SCHEMBL28303894 0.79 RAB9A (0.52) MAPTRAB9ANPC1HTTKMT2A
SCHEMBL8909090 0.75 MEN1 (0.45) MAPTRAB9ANPC1HTTKMT2A
SCHEMBL21729933 0.75 TDP1 (0.79) MAPTRAB9ANPC1HTTKMT2A
SCHEMBL21729918 0.74 MAPT (0.53) MAPTRAB9ANPC1HTTKMT2A
SCHEMBL12120819 0.74 SYK (0.53) RAB9ANPC1KMT2AMEN1EGFR
SCHEMBL21729899 0.73 MAPT (0.48) MAPTRAB9ANPC1HTTKMT2A
SCHEMBL4150750 0.72 KIF11 (0.49) MAPTALDH1A1
SCHEMBL28106110 0.71 SCN9A (0.57) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL28303834 0.71 EGFR (0.46) MAPTRAB9ANPC1KMT2AMEN1

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
US-20220062281-A1 INHIBITORS TO TARGET HIV-1 NEF-CD80/CD86 INTERACTIONS FOR THERAPEUTIC INTERVENTION NAT CENTRE FOR BIOLOGICAL SCIENCES TIFR (IN) 2022-03-03 US disclosed
WO-2020035880-A1 INHIBITORS TO TARGET HIV-1 NEF-CD80/CD86 INTERACTIONS FOR THERAPEUTIC INTERVENTION NATIONAL CENTRE FOR BIOLOGICAL SCIENCES-TIFR (IN) 2020-02-20 WO 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-20220062281-A1 INHIBITORS TO TARGET HIV-1 NEF-CD80/CD86 INTERACTIONS FOR THERAPEUTIC INTERVENTION CD4, CD14, CD69 MAPT 298/4885RAB9A 997/4885NPC1 77/4885

“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.