SCHEMBL20073439

SCHEMBL20073439

Nc1cnc2c(n1)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
ACHE P22303 6/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BPTF Q12830 1/20 0.38
KDM4E B2RXH2 1/20 0.38
APAF1 O14727 1/20 0.38
NSD2 O96028 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7421770 0.95 NOS3 (0.45) NOS3NOS1NOS2ACHEMAPK1
SCHEMBL22545792 0.93 NOS3 (0.44) NOS3NOS1NOS2ACHEMAPK1
SCHEMBL8057128 0.80 HTR2C (0.35)
SCHEMBL30932851 0.80 HTR2C (0.35)
Bromide SCHEMBL11076585 0.79 HTR2C (0.34)
SCHEMBL11076421 0.77 HRH4 (0.42) NOS1
Hydrochloric Acid SCHEMBL11074583 0.76 HRH4 (0.41) NOS1
SCHEMBL16418523 0.74 PIK3R1 (0.31)
SCHEMBL11064431 0.73 HRH3 (0.41) ACHERAB9A
Hydrochloric Acid SCHEMBL11074582 0.73 HRH3 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-10 US disclosed
US-11220508-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2022-01-11 US disclosed
US-11174265-B2 2021-11-16 US disclosed
US-20210230163-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-07-29 US disclosed
EP-3848370-A2 TYK2 INHIBITORS AND USES THEREOF Nimbus Lakshmi, Inc. (US) 2021-07-14 EP disclosed
US-10793574-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-10-06 US disclosed
US-20190284194-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-19 US disclosed
US-10323036-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2019-06-18 US disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
WO-2018071794-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-19 WO 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 (8 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-11220508-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 NOS3 4412/4885NOS1 4483/4885NOS2 4218/4885
US-10793574-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 NOS3 4412/4885NOS1 4483/4885NOS2 4218/4885
US-10323036-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 NOS3 4412/4885NOS1 4483/4885NOS2 4218/4885
US-20210230163-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOS3 4412/4885NOS1 4483/4885NOS2 4218/4885
US-20190284194-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOS3 4412/4885NOS1 4483/4885NOS2 4218/4885
US-11174265-B2 TYK2, JAK2, JAK1 NOS3 3882/4885NOS1 4226/4885NOS2 3673/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOS3 4412/4885NOS1 4483/4885NOS2 4218/4885
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOS3 4412/4885NOS1 4483/4885NOS2 4218/4885

“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.