SCHEMBL18635879

SCHEMBL18635879

CCCCCCCC(CCCCCC)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
NAAA Q02083 1/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.38
SLC2A1 P11166 1/20 0.37
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL18559449 1.00 NR1I2 (0.46) NR1I2MAPTALDH1A1POLBNAAA
SCHEMBL9227794 1.00 NR1I2 (0.46) NR1I2MAPTALDH1A1POLBNAAA
SCHEMBL9227674 1.00 NR1I2 (0.46) NR1I2MAPTALDH1A1POLBNAAA
SCHEMBL3443068 1.00 NR1I2 (0.46) NR1I2MAPTALDH1A1POLBNAAA
SCHEMBL19513573 1.00 NR1I2 (0.46) NR1I2MAPTALDH1A1POLBNAAA
SCHEMBL18559615 1.00 NR1I2 (0.46) NR1I2MAPTALDH1A1POLBNAAA
SCHEMBL18638701 0.98 NR1I2 (0.45) NR1I2MAPTALDH1A1POLBNAAA
SCHEMBL19225149 0.98 NR1I2 (0.45) NR1I2MAPTALDH1A1POLBNAAA
SCHEMBL18559574 0.98 ALDH1A1 (0.46) NR1I2MAPTALDH1A1POLBNAAA
SCHEMBL23371800 0.96 NR1I2 (0.44) NR1I2MAPTALDH1A1POLBNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10479795-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines and substituted imidazo[1,2-b]pyridazines as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2019-11-19 US disclosed
US-20190119287-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2019-04-25 US disclosed
US-20190112305-A1 BONE MARROW ON X CHROMOSOME KINASE (BMX) INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-18 US disclosed
US-10023536-B2 Suprametallogels and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-07-17 US disclosed
US-20170073311-A1 SUPRAMETALLOGELS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-03-16 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 (5 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-10479795-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines and substituted imidazo[1,2-b]pyridazines as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CA NR1I2 364/4885MAPT 3504/4885ALDH1A1 1354/4885
US-10023536-B2 Suprametallogels and uses thereof PDCD1LG2, PDCD2L, PYGL NR1I2 2161/4885MAPT 3850/4885ALDH1A1 912/4885
US-20190112305-A1 BONE MARROW ON X CHROMOSOME KINASE (BMX) INHIBITORS AND USES THEREOF BMX, MELK, TEC NR1I2 1386/4885MAPT 992/4885ALDH1A1 4530/4885
US-20190119287-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD NR1I2 1291/4885MAPT 3639/4885ALDH1A1 3638/4885
US-20170073311-A1 SUPRAMETALLOGELS AND USES THEREOF PDCD1LG2, PDCD2L, PYGL NR1I2 2161/4885MAPT 3850/4885ALDH1A1 912/4885

“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.