SCHEMBL19987448

SCHEMBL19987448

CCC(CC)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
SMN1; SMN2 Q16637 3/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA7 P43166 2/20 0.61
CA14 Q9ULX7 2/20 0.61
RAB9A P51151 1/20 0.59
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP3A4 P08684 1/20 0.57
GAA P10253 1/20 0.57
CYP2D6 P10635 1/20 0.57
ALDH1A1 P00352 4/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HTT P42858 2/20 0.56
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
KLK7 P49862 1/20 0.52

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
SCHEMBL19198292 0.86 SMN1; SMN2 (0.64) MEN1KMT2ASMN1; SMN2CA1CA2
SCHEMBL5150082 0.84 CA1 (0.62) MEN1KMT2ACA1CA2CA7
SCHEMBL25668521 0.83 HTT (0.68) MEN1KMT2ASMN1; SMN2CA1CA2
SCHEMBL18896147 0.83 MEN1 (0.61) MEN1KMT2ASMN1; SMN2CA1CA2
SCHEMBL5417260 0.82 MEN1 (0.51) MEN1KMT2ARAB9ACYP1A2CYP2C9
SCHEMBL28590757 0.82 KMT2A (0.67) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL13018942 0.81 HTT (0.66) MEN1KMT2ASMN1; SMN2CA1CA2
SCHEMBL19592404 0.81 MEN1 (0.65) MEN1KMT2ASMN1; SMN2CA1CA2
SCHEMBL4681925 0.81 MEN1 (0.86) MEN1KMT2ASMN1; SMN2CA1CA2
SCHEMBL9978869 0.80 GAA (0.56) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 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 (4 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP MEN1 154/4885KMT2A 909/4885SMN1; SMN2 1711/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT MEN1 2234/4885KMT2A 400/4885SMN1; SMN2 4521/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP MEN1 154/4885KMT2A 909/4885SMN1; SMN2 1711/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT MEN1 2234/4885KMT2A 400/4885SMN1; SMN2 4521/4885

“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.