SCHEMBL21729918

SCHEMBL21729918

COc1ccc(-c2cnc(N/N=C/c3ccc(F)cc3)nc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.53
POLB P06746 4/20 0.53
PKM P14618 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
KDM4E B2RXH2 3/20 0.51
HTT P42858 3/20 0.51
ALDH1A1 P00352 1/20 0.51
MCL1 Q07820 1/20 0.51
GAA P10253 7/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
NPC1 O15118 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
NQO2 P16083 1/20 0.48
UBE2N P61088 1/20 0.48
TLR9 Q9NR96 1/20 0.48
RAB9A P51151 4/20 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
SCHEMBL21729899 0.81 MAPT (0.48) MAPTPKMTDP1KMT2AMEN1
SCHEMBL21729898 0.78 KMT2A (0.78) MAPTPOLBTDP1KMT2AMEN1
SCHEMBL21626767 0.77 CYP1A2 (0.53) MAPTPOLBPKMKMT2AMEN1
SCHEMBL9099590 0.76 NPC1 (0.47) MAPTPOLBPKMTDP1KMT2A
SCHEMBL9099581 0.76 NPC1 (0.47) MAPTPOLBPKMTDP1KMT2A
SCHEMBL21729900 0.74 MAPT (0.49) MAPTPOLBPKMTDP1KMT2A
SCHEMBL16566653 0.72 CYP1A2 (0.57) MAPTPOLBPKMKMT2AMEN1
SCHEMBL21626815 0.72 KCNH2 (0.70) MAPTPOLBPKMKMT2AMEN1
SCHEMBL7792580 0.70 NFE2L2 (0.68) KMT2AMEN1NQO2RELANFE2L2
SCHEMBL7792584 0.70 NFE2L2 (0.68) KMT2AMEN1NQO2RELANFE2L2

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 298/4885POLB 3683/4885PKM 3791/4885

“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.