SCHEMBL19248554

SCHEMBL19248554

Cc1ccnc(-c2ccc(F)c(C(F)(F)F)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.53
MPL P40238 3/20 0.49
CCR1 P32246 1/20 0.48
CCR5 P51681 1/20 0.48
CCR8 P51685 1/20 0.48
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
RXRA P19793 1/20 0.46
F2RL3 Q96RI0 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
GRM2 Q14416 2/20 0.41
TRPV3 Q8NET8 1/20 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
SCHEMBL19072716 0.84 KMO (0.56) KMOMPLGRIN1GRIN2BF2RL3
SCHEMBL19072718 0.83 KMO (0.55) KMOMPLF2RL3CTSSCTSK
SCHEMBL2666352 0.82 CCR1 (0.57) KMOCCR1CCR5CCR8CYP2A6
SCHEMBL19248553 0.80 CCR1 (0.55) KMOCCR1CCR5CCR8GRIN1
SCHEMBL19243109 0.78 CYP11B1 (0.50) KMOMPLCCR1CCR5CCR8
SCHEMBL30704714 0.78 KMO (0.52) KMOMPLCCR1CCR5CCR8
SCHEMBL14937749 0.78 GRM2 (0.53) KMOMPLPDE3BPDE3AGRM2
SCHEMBL4028551 0.78 KMO (0.52) KMOMPLCCR1CCR5CCR8
SCHEMBL12320137 0.77 CCR1 (0.47) KMOCCR1CCR5CCR8GRIN1
SCHEMBL2161283 0.77 ABL1 (0.55) CCR1CCR5CCR8CYP2A6ABL1

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-9859511-B2 Organoiridium complex for organic electroluminescent elements TANAKA KIKINZOKU KOGYO K.K. (JP) 2018-01-02 US disclosed
US-20170237021-A1 ORGANIC IRIDIUM COMPLEX FOR ORGANIC ELECTROLUMINESCENT ELEMENTS TANAKA KIKINZOKU KOGYO K.K. (JP) 2017-08-17 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-20170237021-A1 ORGANIC IRIDIUM COMPLEX FOR ORGANIC ELECTROLUMINESCENT ELEMENTS L1CAM, ETFA, TTI2 KMO 2882/4885MPL 3946/4885CCR1 2320/4885

“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.