SCHEMBL19987455

SCHEMBL19987455

CCCCCCC(CCCC)c1cnc(OC)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
SLC2A1 P11166 2/20 0.36
NR1I2 O75469 1/20 0.35
DNM1 Q05193 2/20 0.32
HTR2A P28223 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32

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
SCHEMBL19987473 1.00 ITGB3 (0.38) ITGB3ITGAVSLC2A1NR1I2DNM1
SCHEMBL19231975 0.98 ITGB3 (0.39) ITGB3ITGAVSLC2A1NR1I2TUBB4A
SCHEMBL19231976 0.98 ITGB3 (0.39) ITGB3ITGAVSLC2A1NR1I2TUBB4A
SCHEMBL19965627 0.87 SLC2A1 (0.36) SLC2A1NR1I2DNM1
SCHEMBL19464657 0.85 SLC2A1 (0.36) ITGB3ITGAVSLC2A1NR1I2
SCHEMBL19232020 0.83 SLC2A1 (0.36) ITGB3ITGAVSLC2A1HTR2ATUBB4A
SCHEMBL19232032 0.82 SLC2A1 (0.35) SLC2A1NR1I2
SCHEMBL19464626 0.81 NR1I2 (0.37) ITGB3ITGAVSLC2A1NR1I2DNM1
SCHEMBL20372958 0.80 ITGB3 (0.41) ITGB3ITGAVSLC2A1NR1I2
SCHEMBL21230738 0.80 ITGB3 (0.41) ITGB3ITGAVSLC2A1NR1I2

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-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 (2 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-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT ITGB3 4430/4885ITGAV 4569/4885SLC2A1 1906/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT ITGB3 4430/4885ITGAV 4569/4885SLC2A1 1906/4885

“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.