SCHEMBL19689422

SCHEMBL19689422

CC1CC(n2ncc3ccc(Br)cc32)CC(C)O1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.43
▸ KMO O15229 1/20 0.37
▸ IRAK4 Q9NWZ3 2/20 0.37
▸ HTT P42858 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HTR1F P30939 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LRRK2 Q5S007 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SCD O00767 2/20 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
SCHEMBL21251097 0.84 PIK3CD (0.43) PIK3CDKMOHTR1AHTR1BHTR1F
SCHEMBL19701296 0.81 PIK3CD (0.42) PIK3CDHTR1AHTR1BHTR1FLRRK2
SCHEMBL19697958 0.81 PIK3CD (0.42) PIK3CDHTR1AHTR1BHTR1FMEN1
SCHEMBL16595822 0.81 KMO (0.43) PIK3CDKMOIRAK4HTR1AHTR1B
SCHEMBL31104405 0.81 KMO (0.43) PIK3CDKMOIRAK4HTR1AHTR1B
SCHEMBL21810403 0.80 PIK3CD (0.41) PIK3CDKMOIRAK4HTR1AHTR1B
SCHEMBL2980987 0.78 PIK3CD (0.41) PIK3CDKMOIRAK4HTR1AHTR1B
SCHEMBL17677989 0.78 PIK3CD (0.41) PIK3CDKMOIRAK4HTR1AHTR1B
SCHEMBL19279630 0.77 PIK3CD (0.55) PIK3CDKMO
SCHEMBL19698021 0.77 PIK3CD (0.41) PIK3CDKMOIRAK4HTR1AHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209665-B1 SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-14 — — EP disclosed
EP-3209665-B1 SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-14 — — EP disclosed
US-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 — — US disclosed
US-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 — — US disclosed
US-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 — — US disclosed
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — US disclosed
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — US disclosed
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — 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-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors PIK3R3, PIK3R5, PIK3R1 PIK3CD 6/4885KMO 912/4885IRAK4 513/4885
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS PIK3R3, PIK3R5, PIK3R1 PIK3CD 6/4885KMO 912/4885IRAK4 513/4885

“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.

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