SCHEMBL22320609

SCHEMBL22320609

O=Cc1ccnc(-c2ccc(C(F)F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
ALDH1A1 P00352 2/20 0.47
MPI P34949 1/20 0.47
MEN1 O00255 5/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ATM Q13315 1/20 0.34
NOTUM Q6P988 1/20 0.33
CCR1 P32246 1/20 0.32
HDAC4 P56524 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PRNP P04156 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
TRPV3 Q8NET8 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MAP4K4 O95819 1/20 0.31
MAPT P10636 2/20 0.31
SCN9A Q15858 1/20 0.30

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
SCHEMBL20745902 0.82 ALDH1A1 (0.41) KMT2AALDH1A1MPIMEN1NOTUM
SCHEMBL12538607 0.78 KMT2A (0.51) KMT2AALDH1A1MPIMEN1NPC1
SCHEMBL2678442 0.78 ALDH1A1 (0.49) KMT2AALDH1A1MPINPC1RAB9A
SCHEMBL18002781 0.78 KMT2A (0.52) KMT2AALDH1A1MPIMEN1NPC1
SCHEMBL12151205 0.77 ALDH1A1 (0.47) KMT2AALDH1A1MPITRPV3
SCHEMBL4585500 0.76 CCR1 (0.46) KMT2AALDH1A1MPICCR1
SCHEMBL20339367 0.75 ALDH1A1 (0.54) KMT2AALDH1A1MPIMEN1KDM4E
SCHEMBL15104557 0.74 ALDH1A1 (0.56) KMT2AALDH1A1MPINPC1RAB9A
SCHEMBL12538445 0.73 TRPV3 (0.48) KMT2AALDH1A1MPIPOLBTRPV3
SCHEMBL30147514 0.72 SYK (0.32) ALDH1A1NOTUMCCR1

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
CN-112739343-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2021-04-30 CN disclosed
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 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-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 KMT2A 1375/4885ALDH1A1 647/4885MPI 2637/4885

“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.